3-Bromophenyl isothiocyanate
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Product Description
Product
3-Bromophenyl isothiocyanate
CAS
2131-59-1
Formula
C7H4BrNS
Synonym
Benzene, 1-bromo-3-isothiocyanato-; Isothiocyanic acid, m-bromophenyl ester; m-Bromophenyl isothiocyanate
Typical Product Specifications
Molecular weight
214.08
SMILES
c1(cc(ccc1)Br)N=C=S
InChI
1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey
ZMGMGHNOACSMQN-UHFFFAOYSA-N
Atmospheric OH Rate Constant
7.73E-13 cm3/molecule-sec
Boiling Point
256 ° C
log P (octanol-water)
4.12
Water solubility
17.6 mg/L
Henry's Law Constant
3.11E-04 atm-m3/mole
Vapor Pressure
4.11E-03 mm Hg
Class
3-Bromophenyl isothiocyanate
Product Description
Product
3-Bromophenyl isothiocyanate
CAS
2131-59-1
Formula
C7H4BrNS
Synonym
Benzene, 1-bromo-3-isothiocyanato-; Isothiocyanic acid, m-bromophenyl ester; m-Bromophenyl isothiocyanate
Typical Product Specifications
Molecular weight
214.08
SMILES
c1(cc(ccc1)Br)N=C=S
InChI
1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey
ZMGMGHNOACSMQN-UHFFFAOYSA-N
Atmospheric OH Rate Constant
7.73E-13 cm3/molecule-sec
Boiling Point
256 ° C
log P (octanol-water)
4.12
Water solubility
17.6 mg/L
Henry's Law Constant
3.11E-04 atm-m3/mole
Vapor Pressure
4.11E-03 mm Hg
Class
