101-54-2 structure, C12H12N2

p-aminodiphenylamine

CAS No.

101-54-2

Formula:

C12H12N2

Basic Info

p-Anilinoaniline is an antioxidant that has shown to cause a reduction of NOx emissions from soybean biodiesel powered DI diesel engines but has increased CO and HC emissions.

Formula
C12H12N2
Molecular Weight
184.237
Exact Mass
184.1
LogP
3.6666
PSA
38.05
Synonyms

Azoic Diazo Component 22

N-Phenyl-1,4-phenylenediamine

Variamine Blue RT

4-N-phenylbenzene-1,4-diamine

1,4-Benzenediamine, N-phenyl-

N-Phenyl-p-Phenylenediamine

4-Aminodiphenylamine

N1-Phenylbenzene-1,4-diamine

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Properties

Appearance & Physical State
Odorless purple-black solid or flake or dark purple chips
Density
1.09
Boiling Point
354ºC
Melting Point
69-75ºC
Flash Point
197.8ºC
Refractive Index
1.656
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, plastics.
Storage Condition
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
Vapor Pressure
0.000171mmHg at 25°C

Safety Info

RTECS
ST3150000
Safety Statements
S26-S36/37/39-S45
WGK Germany
3
Risk Statements
R20/22; R36/37/38; R42/43
HS Code
29215990
RIDADR
UN3077
Hazard Class
9
Packing Group
III
Hazard Codes

MSDS

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 p-aminodiphenylamine

1.2 Other means of identification

Product number -
Other names N-Phenyl-1,4-phenylenediamine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates
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

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

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
p-aminodiphenylamine p-aminodiphenylamine 101-54-2 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. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes and upper respiratory tract. It may also cause irritation of the skin and mucous membranes. Other symptoms include headache, dizziness and methemoglobinemia with symptoms of cyanosis including bluish discoloration of the lips, earlobes and fingernails. Dermatitis has been reported. ACUTE/CHRONIC HAZARDS: This compound is toxic by ingestion. It is also harmful by inhalation or skin absorption. It is an irritant of the skin, eyes, mucous membranes and upper respiratory tract. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide and nitrogen oxides.

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

TREATMENT IS SYMPTOMATIC. WHENEVER HISTAMINE-LIKE EFFECTS PREDOMINATE, THERAPEUTIC TRIAL WITH AN ANTIHISTAMINIC IS SUGGESTED. /PRC: POTENTIAL METHEMOGLOBIN FORMER./ /PHENYLENEDIAMINE/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used.

5.2 Specific hazards arising from the chemical

This chemical is 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: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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 strong oxidants and strong acids. Dry.

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 Odorless purple-black solid or flake or dark purple chips
Colour Needles (alcohol)
Odour no data available
Melting point/ freezing point 95°C(dec.)(lit.)
Boiling point or initial boiling point and boiling range 354°C(lit.)
Flammability Combustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 58°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity 1.76X10-2 Pa.s at 25°C
Solubility less than 1 mg/mL at 18.89°C
Partition coefficient n-octanol/water (log value) log Kow = 1.82 (est)
Vapour pressure 0.000171mmHg at 25°C
Density and/or relative density 1.09
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-P-PHENYLENEDIAMINE is incompatible with strong oxidizers. It is also incompatible with strong acids. It may react with plastics.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decompostion it emits toxic fumes of NOx.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 244 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: LC50; Species: Brachydanio rerio (Zebrafish); Conditions: static; Concentration: 1.9 mg/L for 96 hr /99.9% purity
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea, age <24 hr); Conditions: freshwater, static, pH 7.8-8.1, dissolved oxygen 96-99% saturated; Concentration: 1220 ug/L for 24 hr (95% confidence interval: 520-2920 ug/L); Effect: intoxication, immobilization /98% purity
  • Toxicity to algae: EC50; Species: Scenedesmus subspicatus (Algae); Conditions: open static system, 21-25°C, pH 8.3-9.5; Concentration: 2.4 mg/L for 72 hr; Effect: biomass /98.8% purity
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: p-Aminodiphenylamine, present at 2.4 mg/L biodegraded 0, 24, and 28% in 5, 10, and 20 days, respectively, using an adapted activated sludge inoculum in a DEV test(1). p-Aminodiphenylamine, present at 100 mg DOC/L, reached 58% DOC after 3 hours using a mixed, non-adapted activated sludge inoculum in a Zahn-Wellens test(1).

12.3 Bioaccumulative potential

An estimated BCF of 5.1 was calculated for p-aminodiphenylamine(SRC), using an estimated log Kow of 1.82(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of p-aminodiphenylamine can be estimated to be 3.1X10+3(SRC). According to a classification scheme(2), this estimated Koc value suggests that p-aminodiphenylamine is expected to have slight mobility in soil. The pKa of p-aminodiphenylamine is 5.20(3), indicating that this compound will partially exist in cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).

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: UN2285 IMDG: UN2285 IATA: UN2285

14.2 UN Proper Shipping Name

ADR/RID: ISOCYANATOBENZO- TRIFLUORIDES
IMDG: ISOCYANATOBENZO- TRIFLUORIDES
IATA: ISOCYANATOBENZO- TRIFLUORIDES

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
p-aminodiphenylamine p-aminodiphenylamine 101-54-2 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 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not 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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Name: N-Phenyl-p-phenylenediamine 98% Material Safety Data Sheet
Synonym: 4-Aminodiphenylamine; N-Phenyl-1,4-benzenediamine; Acna Black DF Base; C.I. Developer 15; Fast Blue R Salt; Luxan Black R; p-Semidine; Rodol Gray B base
CAS: 101-54-2
Section 1 - Chemical Product   MSDS Name:N-Phenyl-p-phenylenediamine 98% Material Safety Data Sheet
Synonym:4-Aminodiphenylamine; N-Phenyl-1,4-benzenediamine; Acna Black DF Base; C.I. Developer 15; Fast Blue R Salt; Luxan Black R; p-Semidine; Rodol Gray B base

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
101-54-2 N-Phenyl-1,4-phenylenediamine 98 202-951-9
Hazard Symbols: XN
Risk Phrases: 22 36/37/38 43

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin. May cause sensitization by skin contact.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
Ingestion:
Harmful if swallowed. Causes gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. In rare instances, exposure may cause sensitization, resulting in inflammation of the mucous membranes and in eczematous eruptions.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, immediately flush skin with soap and plenty of water. Remove contaminated clothing and shoes. Get medical aid if symptoms occur. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use water spray, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid breathing dust.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 101-54-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: purple - gray brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Negligible.
Viscosity: Not available.
Boiling Point: 354 deg C @ 760 mm Hg
Freezing/Melting Point: 73 - 78 deg C
Autoignition Temperature: > 500 deg C (> 932.00 deg F)
Flash Point: > 250 deg C (> 482.00 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: Negligible.
Specific Gravity/Density:
Molecular Formula: C12H12N2
Molecular Weight: 184.24

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 101-54-2: ST3150000 LD50/LC50:
CAS# 101-54-2: Draize test, rabbit, eye: 100 mg/24H Moderate; Oral, mouse: LD50 = 244 mg/kg; Oral, rabbit: LD50 = >5 gm/kg; Oral, rat: LD50 = 464 mg/kg; Skin, rabbit: LD50 = >5 gm/kg.
Found to be a moderate skin sensitizer in a study with guinea pigs in all animals tested.
Carcinogenicity:
N-Phenyl-1,4-phenylenediamine - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Bacteria: Phytobacterium phosphoreum: EC50 = 0.26-0.33 mg/L; 5,15,30 Minutes; Microtox test

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
R 43 May cause sensitization by skin contact.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
WGK (Water Danger/Protection)
CAS# 101-54-2: 3
Canada
CAS# 101-54-2 is listed on Canada's DSL List.
CAS# 101-54-2 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 101-54-2 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Toxicity

SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration into the eye
Species Observed
Rodent - rabbit
Dose/Duration
100 mg/24H
Toxic Effects
--
Reference
Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,481,1986
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
464 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. (Bethesda, MD) Volume(issue)/page/year: NCI-E-C-72-3252,1973
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
244 mg/kg
Toxic Effects
Blood--hemorrhage<br>Nutritional and Gross Metabolic--body temperature decrease
Reference
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 8,126,1966
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