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4-Bromobenzonitrile Structure

4-Bromobenzonitrile

Chemical Properties

Melting point 110-115 °C(lit.)
Boiling point 235-237 °C(lit.)
Density  1,562 g/cm3
refractive index  1.5999 (estimate)
Flash point 130°C
storage temp.  Sealed in dry,Room Temperature
solubility  0.2g/l
form  Powder or Flakes
color  White to light yellow or flakes
Water Solubility  Very slightly soluble in water(0.2g/L). Soluble in alcohol and ether.
BRN  2041518
InChI 1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey HQSCPPCMBMFJJN-UHFFFAOYSA-N
SMILES Brc1ccc(cc1)C#N
LogP 2.3 at 22.5℃ and pH7
CAS DataBase Reference 623-00-7(CAS DataBase Reference)
NIST Chemistry Reference 4-Bromobenzoic acid nitrile(623-00-7)

Safety Information

Hazard Codes  Xn,T,Xi
Risk Statements  22-36/37/38-20/21/22
Safety Statements  61-36/37/39-26-24/25
RIDADR  UN 3439 6.1/PG 3
WGK Germany  2
RTECS  DI2460000
Hazard Note  Toxic/Irritant
HazardClass  6.1
PackingGroup  III
HS Code  29269095
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2

MSDS

Usage And Synthesis

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