4-Bromobenzonitrile
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Product Description
Product
4-Bromobenzonitrile
CAS
623-00-7
Formula
C7H4BrN
Synonym
4-Bromobenzonitrile; AI3-00488; Benzonitrile, 4-bromo-; Benzonitrile, p-bromo-; Benzonitrile, p-bromo- (8CI); EINECS 210-764-9; NSC 3978; p-Bromobenzonitrile; p-Bromophenyl cyanide; 1-Bromo-4-cyanobenzene; 4-Bromobenzoic acid nitrile
Typical Product Specifications
Molecular weight
182.02
SMILES
c1(ccc(Br)cc1)C#N
InChI
1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey
HQSCPPCMBMFJJN-UHFFFAOYSA-N
Vapor Pressure
0.027 mm Hg
Henry's Law Constant
2.07E-05 atm-m3/mole
Boiling Point
236 ° C
Atmospheric OH Rate Constant
2.17E-13 cm3/molecule-sec
Melting Point
114 ° C
log P (octanol-water)
2.430
Water solubility
246 mg/L
Class
4-Bromobenzonitrile
Product Description
Product
4-Bromobenzonitrile
CAS
623-00-7
Formula
C7H4BrN
Synonym
4-Bromobenzonitrile; AI3-00488; Benzonitrile, 4-bromo-; Benzonitrile, p-bromo-; Benzonitrile, p-bromo- (8CI); EINECS 210-764-9; NSC 3978; p-Bromobenzonitrile; p-Bromophenyl cyanide; 1-Bromo-4-cyanobenzene; 4-Bromobenzoic acid nitrile
Typical Product Specifications
Molecular weight
182.02
SMILES
c1(ccc(Br)cc1)C#N
InChI
1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey
HQSCPPCMBMFJJN-UHFFFAOYSA-N
Vapor Pressure
0.027 mm Hg
Henry's Law Constant
2.07E-05 atm-m3/mole
Boiling Point
236 ° C
Atmospheric OH Rate Constant
2.17E-13 cm3/molecule-sec
Melting Point
114 ° C
log P (octanol-water)
2.430
Water solubility
246 mg/L
Class
