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2-Amino-5-chlorobenzonitrile Structure

2-Amino-5-chlorobenzonitrile

Chemical Properties

Melting point 96-99 °C (lit.)
Boiling point 132-135 °C/0.5 mmHg (lit.)
Density  1.2763 (rough estimate)
refractive index  1.5500 (estimate)
Flash point >230 °F
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  Chloroform (Slightly), DMSO (Slightly)
form  Crystalline Needles
pka 1.18±0.10(Predicted)
color  White to light beige
InChI 1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
InChIKey QYRDWARBHMCOAG-UHFFFAOYSA-N
SMILES Nc1ccc(Cl)cc1C#N
CAS DataBase Reference 5922-60-1(CAS DataBase Reference)
EPA Substance Registry System Benzonitrile, 2-amino-5-chloro- (5922-60-1)

Safety Information

Hazard Codes  Xn,Xi
Risk Statements  20/21/22-36/37/38
Safety Statements  26-36-36/37/39
RIDADR  3276
WGK Germany  3
Hazard Note  Irritant
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  III
HS Code  29269090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

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