3-Cyanophenyl isothiocyanate
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Product Description
Product
3-Cyanophenyl isothiocyanate
CAS
3125-78-8
Formula
C8H4N2S
Typical Product Specifications
Molecular weight
160.20
SMILES
c1ccc(C#N)cc1N=C=S
InChI
1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChIKey
UXCYPHCFQAFVFH-UHFFFAOYSA-N
Water solubility
78.8 mg/L
log P (octanol-water)
3.13
Vapor Pressure
9.53E-04 mm Hg
Henry's Law Constant
7.55E-06 atm-m3/mole
Atmospheric OH Rate Constant
3.78E-13 cm3/molecule-sec
Storage Temperature
Keep Cold
Melting Point
64-66 °C
Sensitive
Moisture Sensitive
BRN Number
2803099
Class
3-Cyanophenyl isothiocyanate
Product Description
Product
3-Cyanophenyl isothiocyanate
CAS
3125-78-8
Formula
C8H4N2S
Typical Product Specifications
Molecular weight
160.20
SMILES
c1ccc(C#N)cc1N=C=S
InChI
1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChIKey
UXCYPHCFQAFVFH-UHFFFAOYSA-N
Water solubility
78.8 mg/L
log P (octanol-water)
3.13
Vapor Pressure
9.53E-04 mm Hg
Henry's Law Constant
7.55E-06 atm-m3/mole
Atmospheric OH Rate Constant
3.78E-13 cm3/molecule-sec
Storage Temperature
Keep Cold
Melting Point
64-66 °C
Sensitive
Moisture Sensitive
BRN Number
2803099
Class
