101-14-4 structure, C13H12Cl2N2
4,4'-methylene-bis-(2-chloroaniline)
CAS No.: 101-14-4 Formula: C13H12Cl2N2 Molecular Weight: 267.15400
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4,4'-methylene-bis-(2-chloroaniline)

CAS No.:

101-14-4

Formula:

C13H12Cl2N2

Molecular Weight: 267.15400
Suppliers: All (28) China Suppliers (28) Price Available (8) Contractor (1)

Numbering system

RTECS number CY1050000
MDL number MFCD00047829
BRN number 1882318
PubChem number 24884819
EINECS number 202-918-9

Properties

Appearance & Physical State

off-white powder with slight odor

Density

1.44

Boiling Point

202ºC (0.3 torr)

Melting Point

102-107ºC

Flash Point

203ºC

Refractive Index

1.671

Stability

Stable, but decomposes exothermically, and possibly explosively, above 200ºC. Incompatible with strong oxidizing agents.

Storage Condition

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Vapor Pressure

0mmHg at 25°C

Safety Info

RTECS

CY1050000

Hazard Class

6.1(b)

Safety Statements

S45-S53-S60-S61

HS Code

2921590031

WGK Germany

3

Packing Group

III

RIDADR

UN 2018

Risk Statements

R22; R45; R50

Hazard Codes

T

Hazard Declaration

H302; H341; H350; H410

Caution Statement

P201; P273; P281; P308 + P313; P501

Symbol

GHS07, GHS08, GHS09

Signal Word

Danger

SDS 1.0

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SDS 1.0

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,4'-methylene-bis-(2-chloroaniline)

1.2 Other means of identification

Product number -
Other names bisamine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Benzidines/Aromatic amines
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Carcinogenicity, Category 1B

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H350 May cause cancer

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
4,4'-methylene-bis-(2-chloroaniline) 4,4'-methylene-bis-(2-chloroaniline) 101-14-4 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap.

In case of eye contact

Rinse with plenty of water (remove contact lenses if easily possible).

If swallowed

Rinse mouth. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Exposure Routes: inhalation, skin absorption, ingestion, skin and/or eye contact Symptoms: Hematuria (blood in the urine), cyanosis, nausea, methemoglobinemia, kidney irritation; [potential occupational carcinogen] Target Organs: Liver, blood, kidneys (NIOSH, 2016)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

In case of fire in the surroundings: all extinguishing agents allowed.

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available. It is probably combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: complete protective clothing including self-contained breathing apparatus. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment.

6.3 Methods and materials for containment and cleaning up

PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

See Chemical Dangers. Well closed. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

NIOSH considers 4,4'methylenebis(2-chloroaniline) to be a potential occupational carcinogen. NIOSH usually recommends that occupational exposures to carcinogens be limited to the lowest feasible concentration.

Recommended Exposure Limit: 10 Hour Time-Weighted Average: 0.003 mg/cu m, skin.

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state off-white powder with slight odor
Colour Tan colored pellets
Odour Faint, amine-like odor
Melting point/ freezing point 191°C(dec.)(lit.)
Boiling point or initial boiling point and boiling range 202-214°C/0.3mmHg(lit.)
Flammability Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 113°C
Auto-ignition temperature no data available
Decomposition temperature 202°C
pH Weak base
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 25°C
Partition coefficient n-octanol/water (log value) log Kow = 3.91
Vapour pressure 0mmHg at 25°C
Density and/or relative density 1.44
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Combustible.4,4'-METHYLENEBIS(2-CHLOROANILINE) is a weak base. Undergoes an exothermic and self-sustaining decomposition reaction when exposed to heat above 200°C, In a closed container, the pressure buildup can be rapid enough to cause an explosion.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Chemically-active metals (e.g., potassium, sodium, magnesium, zinc).

10.6 Hazardous decomposition products

This substance decomposes on heating above 200°C or on burning... .

11.Toxicological information

Acute toxicity

  • Oral: LD50 Guinea pig oral 400 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

There is strong mechanistic evidence indicating that the carcinogenicity of 4,4'-methylenebis(2-chlorobenzenamine) involves a genotoxic mechanism of action that includes metabolic activation, formation of DNA adducts, and induction of mutagenic and clastogenic effects in humans. Metabolic activation to DNA-reactive intermediates occurs by multiple pathways including N-oxidation in the liver, O-acetylation in the bladder, and peroxidative activation in the mammary gland and other organs. 4,4'-Methylenebis(2-chlorobenzenamine) is carcinogenic to humans (Group 1).

Reproductive toxicity

No information is available on the reproductive or developmental effects of MBOCA in humans or animals.

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: 4,4'-methylenebis(2-chloroaniline), present at 100 mg/L, reached 0% of its theoretical BOD in 8 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1). 4,4'-Methylenebis(2-chloroaniline) was not degraded after 6 weeks in a static system in which 2 mg/L of the compound was seeded with sludge, incubated for 7 days, and the process repeated using cultures from the original system(2). However, when the same investigators subjected the 4,4'-methylenebis(2-chloroaniline) containing water to a continuous feed activated sludge reactor, 96% of the chemical in the water was removed in 24 hours after 1 week of operation(2). Studies in pure cultures showed 4 major biodegradation products; two were identified as the N-monoacetyl, N,N'-diacetyl derivatives(3). 4,4'-Methylenebis(2-chloroaniline) is biodegraded to 4,4'-diamino-3,3'-dichlorobenzophenone in non-sterile soil(4). The rate of biodegradation in soil was not determined in part due to the irreversible binding of the chemical to the soil(4). The lack of metabolic conversion in sterile soil, as well as the higher extractable concentration present in sterile vs non-sterile soil indicate that biological degradation is occurring in the soil(4).

12.3 Bioaccumulative potential

BCFs of 130-398 and 114-232 were reported in carp (Cyprinus carpio) exposed for 8 weeks to 4,4'-methylenebis(2-chloroaniline) at 50 and 5 ppb, respectively(1). According to a classification scheme(2), these BCF ranges suggest bioconcentration in aquatic organisms is high(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 4,4'-methylenebis(2-chloroaniline) can be estimated to be 5700(SRC). According to a classification scheme(2), this estimated Koc value suggests that 4,4'-methylenebis(2-chloroaniline) is expected to be immobile in soil(SRC).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN3077 IMDG: UN3077 IATA: UN3077

14.2 UN Proper Shipping Name

ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IATA: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 9 IMDG: 9 IATA: 9

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
4,4'-methylene-bis-(2-chloroaniline) 4,4'-methylene-bis-(2-chloroaniline) 101-14-4 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

MSDS

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1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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101-14-4 NMR spectrum
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Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 1140 mg/kg 1.Sense Organs and Special Senses (Olfaction)-effect, not otherwise specified
2.Behavioral-ataxia
3.Lungs, Thorax, or Respiration-cyanosis
Subcutaneous LD50 - Lethal dose, 50 percent kill Rodent - rat >5 gm/kg 1.Details of toxic effects not reported other than lethal dose value
Unreported LDLo - Lowest published lethal dose Rodent - rat 1 gm/kg 1.Behavioral-muscle weakness
2.Lungs, Thorax, or Respiration-cyanosis
3.Kidney, Ureter, Bladder-urine volume increased
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