4-Aminobenzonitrile Structure

4-Aminobenzonitrile

Chemical Properties

Melting point 83-85 °C(lit.)
Boiling point 167 °C / 1mmHg
Density  1.1151 (rough estimate)
vapor pressure  0.002-0.005Pa at 20-25℃
refractive index  1.5500 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Crystalline Powder Chunks
pka 1.74(at 25℃)
color  Off-white or beige to orange-yellow
Water Solubility  Soluble in ethyl acetate, dichloromethane and chloroform. Insoluble in water.
BRN  774507
Stability Toxic
InChI 1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
InChIKey YBAZINRZQSAIAY-UHFFFAOYSA-N
SMILES Nc1ccc(cc1)C#N
LogP 1 at 20℃ and pH7
CAS DataBase Reference 873-74-5(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII PB8V69Y76T
NIST Chemistry Reference Benzonitrile, 4-amino-(873-74-5)
EPA Substance Registry System Benzonitrile, 4-amino- (873-74-5)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)Health Hazard (GHS08)
Signal wordWarning
Hazard statements H302-H341-H412
Precautionary statements P202-P264-P270-P273-P301+P312-P308+P313
Hazard Codes  Xn,Xi
Risk Statements  22-36-36/37/38-20/21/22
Safety Statements  26-36
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  BX2320000
Hazard Note  Harmful
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  III
HS Code  29269095
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 3
Muta. 2
NFPA 704:
1
3 0

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4-Aminobenzonitrile Chemical Properties,Usage,Production

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