3-Chlorophenyl isothiocyanate
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Product Description
Product
3-Chlorophenyl isothiocyanate
CAS
2392-68-9
Formula
C7H4ClNS
Synonym
1-Chloro-3-isothiocyanatobenzene; 3-12-00-01317 (Beilstein Handbook Reference); 3-Chlorophenylisothiocyanate; Benzene, 1-chloro-3-isothiocyanato-; Benzene, 1-chloro-3-isothiocyanato- (9CI); BRN 0636856; Isothiocyanic acid, 3-chlorophenyl ester; Isothiocyanic acid, m-chlorophenyl ester; isothiocyanicacid,3-chlorophenylester; isothiocyanicacid,m-chlorophenylester; M-CHLOROPHENYL ISOTHIOCYANATE; NSC 132371; TIMTEC-BB SBB006588
Typical Product Specifications
Molecular weight
169.63
SMILES
Clc1cc(N=C=S)ccc1
InChI
1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey
WGXCKFMVBAOIFH-UHFFFAOYSA-N
Water solubility
19 mg/L
Atmospheric OH Rate Constant
8.63E-13 cm3/molecule-sec
Boiling Point
249.5 ° C
Henry's Law Constant
5.79E-04 atm-m3/mole
log P (octanol-water)
3.36
Vapor Pressure
0.013 mm Hg
Sensitive
Moisture Sensitive
Density
1.292
Refractive Index
1.658-1.66
Boiling Point
249-250 °C
Flash Point
>110°C
BRN Number
636856
Class
3-Chlorophenyl isothiocyanate
Product Description
Product
3-Chlorophenyl isothiocyanate
CAS
2392-68-9
Formula
C7H4ClNS
Synonym
1-Chloro-3-isothiocyanatobenzene; 3-12-00-01317 (Beilstein Handbook Reference); 3-Chlorophenylisothiocyanate; Benzene, 1-chloro-3-isothiocyanato-; Benzene, 1-chloro-3-isothiocyanato- (9CI); BRN 0636856; Isothiocyanic acid, 3-chlorophenyl ester; Isothiocyanic acid, m-chlorophenyl ester; isothiocyanicacid,3-chlorophenylester; isothiocyanicacid,m-chlorophenylester; M-CHLOROPHENYL ISOTHIOCYANATE; NSC 132371; TIMTEC-BB SBB006588
Typical Product Specifications
Molecular weight
169.63
SMILES
Clc1cc(N=C=S)ccc1
InChI
1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey
WGXCKFMVBAOIFH-UHFFFAOYSA-N
Water solubility
19 mg/L
Atmospheric OH Rate Constant
8.63E-13 cm3/molecule-sec
Boiling Point
249.5 ° C
Henry's Law Constant
5.79E-04 atm-m3/mole
log P (octanol-water)
3.36
Vapor Pressure
0.013 mm Hg
Sensitive
Moisture Sensitive
Density
1.292
Refractive Index
1.658-1.66
Boiling Point
249-250 °C
Flash Point
>110°C
BRN Number
636856
Class
