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90-30-2 structure, C16H13N
N-Phenyl-1-naphthylamine
CAS No.: 90-30-2 Formula: C16H13N Molecular Weight: 219.28100
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N-Phenyl-1-naphthylamine

CAS No.:

90-30-2

Formula:

C16H13N

Molecular Weight: 219.28100
Suppliers: All (118) China Suppliers (73) Price Available (17) Contractor (8)

Description

N-Phenylnaphthalen-1-amine (NPN) is a nonpolar, hydrophobic molecule with the chemical formula C 16NH 13. This molecule is most notable for its binding affinity in mouse major urinary protein (MUP). This ligand has the greatest binding affinity of all MUP binding ligand discovered, including 2-sec-butyl-4,5-dihydrothiazole (SBT), 6-hydroxy-6-methyl-3-heptanone (HMH), and 3-isobutyl-2-methoxypyrazine (IBMP). NPN binds 28 times tighter than SBT. It also makes 38 nonpolar contacts to MUP, whereas IBMP only makes 15 contacts which are the next most nonpolar contacts. There is a slight difference in the binding affinities and forms for NPN bound in wild-type MUP and the Y120F MUP mutant. In wild-type MUP there is just enough room for the amine group of NPN to makes a water mediated hydrogen bond to Tyr120, whereas in Y120F MUP mutant, there is a slight shift and the amine group makes a direct hydrogen bond to Tyr120. Much is still unknown about the entropic and enthalpic effects of the MUP binding site.

Basic Info

Chemical Name

N-Phenyl-1-naphthylamine

Synonyms

1-Naphthalenamine, N-phenyl-; N-phenylnaphthalen-1-amine;

CAS No.

90-30-2

Molecular Formula

C16H13N

Molecular Weight

219.28100

PSA

12.03000

LogP

4.65640

Numbering system

UNII 5I112077IN

Properties

Appearance & Physical State

off-white to slight brown crystalline powder

Density

1.1

Boiling Point

335ºC

Melting Point

58-62ºC

Flash Point

190.2ºC

Water Solubility

insoluble

Stability

Stable. Incompatible with strong oxidizing agents, strong acids.

Safety Info

RTECS

QM4500000

Hazard Class

9

Safety Statements

S26-S29-S37/39-S61

HS Code

3812301000

WGK Germany

2

Packing Group

III

RIDADR

3077

Risk Statements

R22; R36/37/38; R50/53

Hazard Codes

Xn; N

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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name N-Phenyl-1-naphthylamine

1.2 Other means of identification

Product number -
Other names 1-Naphthalenamine, N-phenyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates,Lubricants and lubricant additives
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

Skin sensitization, Category 1

Specific target organ toxicity – repeated exposure, Category 2

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

H317 May cause an allergic skin reaction

H373 May cause damage to organs through prolonged or repeated exposure

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.

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

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

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

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

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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

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

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

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

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

none

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
N-Phenyl-1-naphthylamine N-Phenyl-1-naphthylamine 90-30-2 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. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower.

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. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes.

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

Absorption, Distribution and Excretion

In male Sprague-Dawley rats administered a single oral dose of 160 mg [14C] N-phenyl-1-naphthylamine/kg bw, the chemical was well absorbed, metabolized almost completely, and excreted primarily in the feces. Radioactivity was detected in plasma within 60 min, with the maximum concentration measured after 4 hr. After 24 hr, 20% of the radioactivity was found in the GI tract (including contents), 2.4% in fatty tissue, 0.4% in the liver, and 0.1% in the kidneys. 90% of the administered radioactivity was excreted within 48 hr; 95% was excreted within 72 hr (60% in the feces and 35% in the urine).

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Powder, water spray, foam, carbon dioxide. ...In case of fire: keep drums, etc., cool by spraying with water. /from table/

5.2 Specific hazards arising from the chemical

Flash point data for this compound 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

Sweep spilled substance into covered sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment. Personal protection: P2 filter respirator for harmful particles.

6.3 Methods and materials for containment and cleaning up

Sweep spilled substance into sealable containers. Carefully collect remainder, then remove to safe place. Do NOT let this chemical enter the environment.

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

Well closed. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing./Keep/ well closed.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

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 to slight brown crystalline powder
Colour Prisms or needles from alcohol; leaflets from ligroin.
Odour Amine-like
Melting point/ freezing point 300°C(dec.)(lit.)
Boiling point or initial boiling point and boiling range 200°C/10mmHg(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 80°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:insoluble
Partition coefficient n-octanol/water (log value) log Kow = 4.20
Vapour pressure 1.13X10-5 mm Hg @ 25°C /Extrapolated/
Density and/or relative density 1.1
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

N-PHENYL-1-NAPHTHYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 1625 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

no data available

Reproductive toxicity

no data available

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: LC50 Daphnia magna 0.06 mg/L/21 day; semi-static
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: N-Phenyl-1-naphthylamine, present at 100 mg/L, reached 0% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(1). In contrast, another test showed a 50% theoretical BOD in 5 days using a freshwater inoculum(2). Using an activated sewage inoculum, N-phenyl-1-naphthylamine (concentration of 2 ug/g) reached 70% of its theoretical BOD in 2 days(2). In screening tests, N-phenyl-1-naphthylamine present in a concentration of 2 ug/mL, reached 50% of its theoretical BOD in 10 days in Oneida Lake, NY water(2). Using acclimated lake water supplemented with nutrient broth, N-phenyl-1-naphthylamine (concentration of 2 ppm) reached 90% of its theoretical BOD after 10 days. N-Phenyl-1-naphthylamine was observed to degrade in a soil study, based on carbon dioxide evolution at rates of 7 and 17% 14CO2 evolution (40 nCi of 14CO2%-test compound/g soil) after 2 and 11 days, respectively(2).

12.3 Bioaccumulative potential

BCF ranges of 427-2,730 and 889 to 2,490 at 0.1 and 0.01 mg/L, respectively, were measured for N-phenyl-1-naphthylamine(SRC), using orange-red killifish (Oryzias latipes) which were exposed over an 8-week period(1). BCFs ranging from 432 to 1,285 (relative to radioactivity) and 233 to 694 (relative to test compound) were determined in a flow-through system for bluegill sunfish (Lepomis macrochirus) at steady state(2). According to a classification scheme(3), these BCF values suggest bioconcentration in aquatic organisms is high to very high(SRC), provided the compound is not altered physically or chemically once released into the environment.

12.4 Mobility in soil

The Koc of N-phenyl-1-naphthylamine is estimated as 4,600(SRC), using a measured log Kow of 4.2(1), and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that N-phenyl-1-naphthylamine is expected to have slight mobility in soil. The pKa of N-phenyl-1-naphthylamine is 4.93 at 25°C(4) indicating that this compound will partially exist in the cation form in the environment(3) Since N-phenyl-1-napthylamine exists in the protonated form, it will adsorb more strongly to organic carbon and clay than its neutral counterparts(5).

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
N-Phenyl-1-naphthylamine N-Phenyl-1-naphthylamine 90-30-2 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 Not 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 12, 2017
Revision Date Aug 12, 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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NMR Spectrum 1H NMR : Predict

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90-30-2 NMR spectrum
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GC Analysis

Total 2 Documents >>
Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Capillary 5 % Phenyl methyl siloxane - 2135. custom temperature program
Capillary HP-5 - 2135. custom temperature program
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral TDLo - Lowest published toxic dose Rodent - mouse 5400 mg/kg/9W-I 1.Tumorigenic-Carcinogenic by RTECS criteria
2.Lungs, Thorax, or Respiration-tumors
3.Kidney, Ureter, Bladder-Kidney tumors
Oral TD - Toxic dose (other than lowest) Rodent - mouse 17280 mg/kg/9W-I 1.Tumorigenic-Carcinogenic by RTECS criteria
2.Lungs, Thorax, or Respiration-tumors
3.Kidney, Ureter, Bladder-Kidney tumors
- Mutation in microorganisms - 10 ug/plate -
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