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101-68-8 structure, C15H10N2O2
Diphenylmethane-4,4'-diisocyanate
CAS No.: 101-68-8 Formula: C15H10N2O2 Molecular Weight: 250.25200
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Diphenylmethane-4,4'-diisocyanate

CAS No.:

101-68-8

Formula:

C15H10N2O2

Molecular Weight: 250.25200
Suppliers: All (35) China Suppliers (35) Price Available (9) Contractor (3)

Description

Methylene diphenyl diisocyanate, most often abbreviated as MDI, is an aromatic diisocyanate. It exists in three isomers, 2,2'-MDI, 2,4'-MDI, and 4,4'-MDI, however, the 4,4' isomer is most widely used. This isomer is also known as Pure MDI. MDI reacts with polyols in the manufacture of polyurethane. It is the most produced diisocyanate, accounting for 61.3% of the global market in the year 2000.

Numbering system

RTECS number NQ9350000
PubChem number 24860077
MDL number MFCD00036131
EINECS number 202-966-0
BRN number 797662

Properties

Appearance & Physical State

white to light yellow flakes or crystals

Density

1.19

Boiling Point

392ºC

Melting Point

38-44ºC

Freezing Point

37℃

Flash Point

196ºC

Refractive Index

1.5906 (50ºC)

Water Solubility

decomposes

Stability

Stable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with alcohols.

Storage Condition

Refrigerator

Vapor Pressure

9.02E-06mmHg at 25°C

Safety Info

RTECS

NQ9350000

Hazard Class

6.1

Safety Statements

S23-S36/37-S45

HS Code

29291090

Packing Group

II

RIDADR

UN 2811

Risk Statements

R20; R36/37/38; R42/43

Hazard Codes

Xn

Symbol

GHS07, GHS08

Hazard Declaration

H315; H317; H319; H332; H334; H335; H351; H373

Signal Word

Danger

Caution Statement

P260; P280; P284; P304 + P340; P305 + P351 + P338; P342 + P311

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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 Diphenylmethane-4,4'-diisocyanate

1.2 Other means of identification

Product number -
Other names Methylene di-p-phenyl diisocyanate,flakes

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. The commercial form of MDI is primarily used to produce polyurethane foams.
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

Skin irritation, Category 2

Eye irritation, Category 2

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity – single exposure, Category 3

Respiratory sensitization, Category 1

Carcinogenicity, Category 2

Specific target organ toxicity – repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H317 May cause an allergic skin reaction

H332 Harmful if inhaled

H335 May cause respiratory irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

P201 Obtain special instructions before use.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

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

P314 Get medical advice/attention if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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
Diphenylmethane-4,4'-diisocyanate Diphenylmethane-4,4'-diisocyanate 101-68-8 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. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Breathlessness, chest discomfort, and reduced pulmonary function. (USCG, 1999)

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

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 as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on 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. /Isocyanates, aliphatic thiocyanates, and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Carbon dioxide or dry chemical.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Toxic vapors are generated when heated. Behavior in Fire: Solid melts and burns (USCG, 1999)

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

Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Sweep spilled substance into covered sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

VENTILATE AREA OF SPILL OR LEAK. FOR SMALL QUANTITIES, ABSORB ON PAPER TOWELS. ... BURN THE PAPER IN SUITABLE LOCATION AWAY FROM COMBUSTIBLE MATERIALS. LARGE QUANTITIES CAN BE COLLECTED & ATOMIZED IN SUITABLE COMBUSTION CHAMBER EQUIPPED WITH APPROPRIATE EFFLUENT GAS CLEANING DEVICE. DISPOSAL METHODS: 1. BY ABSORBING ON VERMICULITE, DRY SAND, EARTH OR A SIMILAR MATERIAL & DISPOSING IN A SECURED SANITARY LANDFILL. 2. BY ATOMIZING IN SUITABLE COMBUSTION CHAMBER EQUIPPED WITH APPROPRIATE EFFLUENT GAS CLEANING DEVICE.

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

Separated from food and feedstuffs and incompatible materials. See Chemical Dangers. Cool. Dry. Keep in the dark.Isocyanates are transported in railroad tank cars, tank trucks, tanks in ships, containers, and drums. They are stored in steel tanks and processed in steel equipment. For long-term storage stainless steel is recommended. To avoid contamination by atmospheric moisture, a dry air or inert gas blanket is essential. /Isocyanates/

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hour Time-Weighted Average: 0.05 mg/cu m (0.005 ppm).

Recommended Exposure Limit: 10 Minute Ceiling Value: 0.2 mg/cu m (0.020 ppm).

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 white to light yellow flakes or crystals
Colour Light-yellow, fused solid
Odour Odorless
Melting point/ freezing point 285°C(lit.)
Boiling point or initial boiling point and boiling range 200°C/5mmHg(lit.)
Flammability Combustible SolidCombustible. 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 240°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:decomposes
Partition coefficient n-octanol/water (log value) log Kow = 5.22 (est)
Vapour pressure 9.02E-06mmHg at 25°C
Density and/or relative density 1.18g/mLat 25°C(lit.)
Relative vapour density (air = 1): 8.6
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

A flammable liquid.Isocyanates and thioisocyanates, such as DIPHENYLMETHANE-4,4'-DIISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong alkalis, acids, alcohol [Note: Polymerizes at 450 degrees F].

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /nitrogen oxides and sulfur oxides/.

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: LC50 Rat (male) inhalation 369 mg/cu m/4 hr
  • 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

Evaluation: There is inadequate evidence for the carcinogenicity of 4,4'-methylenediphenyl diisocyanate or polymeric 4,4'-methylenediphenyl diisocyanate in humans. There is limited evidence in experimental animals for the carcinogenicity of a mixture containing monomeric and polymeric 4,4'-methylenediphenyl diisocyanate. Overall evaluation: 4,4'-Methylenediphenyl diisocyanate (industrial preparation) is not classifiable as to its carcinogenicity in humans (Group 3).

Reproductive toxicity

No information is available on the reproductive or developmental effects of MDI in humans. Decreased placental and fetal weights and an increased number of fetuses per litter with skeletal variations were reported in one inhalation study in rats. These effects were observed only at the highest dose, and may have been related to maternal toxicity.

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

no data available

12.3 Bioaccumulative potential

4,4'-Methylenediphenyl diisocyanate hydrolyzes rapidly in aqueous solution(1-3); therefore, bioconcentration will not be an important environmental fate process(SRC). Exposure of carp to 0.00001% concentrations of 4,4'-methylenediphenyl diisocyanate for an eight week period resulted in no bioaccumulations(4).

12.4 Mobility in soil

4,4'-Methylenediphenyl diisocyanate hydrolyzes rapidly in aqueous solution(1-3); therefore, leaching and adsorption to moist soil and sediment will not be an important environmental fate process(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: UN3335 IMDG: UN3335 IATA: UN3335

14.2 UN Proper Shipping Name

ADR/RID: AVIATION REGULATED SOLID, N.O.S.
IMDG: AVIATION REGULATED SOLID, N.O.S.
IATA: AVIATION REGULATED SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

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
Diphenylmethane-4,4'-diisocyanate Diphenylmethane-4,4'-diisocyanate 101-68-8 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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101-68-8 NMR spectrum
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Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Administration onto the skin Standard Draize test Rodent - rabbit 500 mg/24H -
Inhalation TCLo - Lowest published toxic concentration Human 130 ppb/30M 1.Immunological Including Allergic-increased immune response
2.Nutritional and Gross Metabolic-body temperature increase
- Mutation in microorganisms - 50 ug/plate -
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