101-54-2

Name 4-Aminodiphenylamine
CAS 101-54-2
EINECS(EC#) 202-951-9
Molecular Formula C12H12N2
MDL Number MFCD00007850
Molecular Weight 184.24
MOL File 101-54-2.mol

Chemical Properties

Appearance Dark grey flake
Melting point  69 °C
Boiling point  354 °C
density  1.09
vapor pressure  1 hPa
refractive index  1.6266 (estimate)
Fp  193°C
storage temp.  Store below +30°C.
solubility  ethanol: soluble10mg/mL, clear, very dark red (Violet to brown to black solution)
Colour Index  37240
form  Liquid
pka 5.20±0.10(Predicted)
color  Clear
PH 8.9 (0.5g/l, H2O, 20℃)
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, plastics.
Water Solubility  Soluble in water at 20°C 0.6g/L. Soluble in (10 mg/mL) ethanol.
BRN  908935
Henry's Law Constant 1.5×103 mol/(m3Pa) at 25℃, Yaws (2003)
Cosmetics Ingredients Functions HAIR DYEING
Cosmetic Ingredient Review (CIR) 4-Aminodiphenylamine (101-54-2)
InChI 1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
Contact allergens
This substance was formerly used as a hair dye. Sensitization, when detected by patch testing, is relatively low in hairdressers.
InChIKey ATGUVEKSASEFFO-UHFFFAOYSA-N
SMILES Nc1ccc(Nc2ccccc2)cc1
LogP 1.82 at 20℃ and pH7
Dissociation constant 5.45-5.47 at 20℃
CAS DataBase Reference 101-54-2(CAS DataBase Reference)
NIST Chemistry Reference 1,4-Benzenediamine, N-phenyl-(101-54-2)
EPA Substance Registry System p-Aminodiphenylamine (101-54-2)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H302-H317-H319-H411
Precautionary statements  P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
R36:Irritating to the eyes.
R43:May cause sensitization by skin contact.
R42/43:May cause sensitization by inhalation and skin contact .
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/22:Harmful by inhalation and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN3077
WGK Germany  3
RTECS  ST3150000
F  8
Autoignition Temperature >500 °C
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Active
HazardClass  9
PackingGroup  III
HS Code  29215990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Irrit. 2
Skin Sens. 1
Hazardous Substances Data 101-54-2(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 464 mg/kg LD50 dermal Rabbit > 5000 mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

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