4-Aminodiphenylamine Structure

4-Aminodiphenylamine

Chemical Properties

Melting point 69 °C
Boiling point 354 °C
Density  1.09
vapor pressure  1 hPa
refractive index  1.6266 (estimate)
Flash point 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
pka 5.20±0.10(Predicted)
form  Liquid
color  Clear
PH 8.9 (0.5g/l, H2O, 20℃)
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)
Stability Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, plastics.
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
InChIKey ATGUVEKSASEFFO-UHFFFAOYSA-N
SMILES Nc1ccc(Nc2ccccc2)cc1
LogP 1.82 at 20℃ and pH7
Dissociation constant 5.45-5.47 at 20℃
Toxicology and Carcinogenesis Bioassay of N-Phenyl-p-phenylenediamine for Possible Carcinogenicity (CASRN 101-54-2)
CAS DataBase Reference 101-54-2(CAS DataBase Reference)
EWG's Food Scores 3-7
FDA UNII 007X4XXS71
NIST Chemistry Reference 1,4-Benzenediamine, N-phenyl-(101-54-2)
EPA Substance Registry System p-Aminodiphenylamine (101-54-2)
UNSPSC Code 12352116
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)Environment (GHS09)
Signal wordWarning
Hazard statements H302-H315-H319-H317-H410
Precautionary statements P501-P261-P273-P272-P270-P264-P280-P302+P352-P391-P337+P313-P305+P351+P338-P362+P364-P333+P313-P301+P312+P330
Hazard Codes  Xn,Xi,N
Risk Statements  22-36-43-42/43-36/37/38-20/22-50/53
Safety Statements  26-36-45-36/37/39-61-60-36/37
RIDADR  UN3077
WGK Germany  3
RTECS  ST3150000
F  8
Autoignition Temperature >500 °C
Hazard Note  Irritant
TSCA  TSCA listed
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
NFPA 704:
1
2 0

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4-Aminodiphenylamine Chemical Properties,Usage,Production

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