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3-Aminobenzonitrile Structure

3-Aminobenzonitrile

Chemical Properties

Melting point 48-53 °C(lit.)
Boiling point 288-290 °C
Density  1.5511 (rough estimate)
refractive index  1.5500 (estimate)
Flash point 112 °C
solubility  soluble in Methanol
form  Crystalline Solid
pka 2.75(at 25℃)
color  Brown
BRN  636498
InChI InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2
InChIKey NJXPYZHXZZCTNI-UHFFFAOYSA-N
SMILES C(#N)C1=CC=CC(N)=C1
CAS DataBase Reference 2237-30-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 15V3CW939X
NIST Chemistry Reference Benzonitrile, 3-amino-(2237-30-1)

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302+H312+H332-H317
Precautionary statements P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Hazard Codes  Xn,Xi
Risk Statements  20/21/22-43-22-36/37/38
Safety Statements  36/37-36-26
RIDADR  3276
WGK Germany  3
RTECS  DI2454000
Hazard Note  Harmful
HazardClass  6.1
PackingGroup  III
HS Code  29214200
NFPA 704:
1
2 0

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