4-Methylphenyl Isothiocyanate
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Product Description
Product
4-Methylphenyl Isothiocyanate
CAS
622-59-3
Formula
C8H7NS
Synonym
4-Methylphenyl isothiocyanate; 4-Tolyl isothiocyanate; 4-Tolylisothiocyanate; BRN 0386032; EINECS 210-745-5; Isothiocyanic acid, 4-tolyl ester; Isothiocyanic acid, p-tolyl ester; p-Methylphenyl isothiocyanate; p-Tolyl isothiocyanate; 1-Isothiocyanato-4-methylbenzene; 4-12-00-01938 (Beilstein Handbook Reference)
Typical Product Specifications
Molecular weight
149.21
SMILES
c1(ccc(C)cc1)N=C=S
InChI
1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey
ABQKHKWXTUVKGF-UHFFFAOYSA-N
Henry's Law Constant
8.62E-04 atm-m3/mole
log P (octanol-water)
3.92
Boiling Point
237 ° C
Atmospheric OH Rate Constant
5.72E-12 cm3/molecule-sec
Vapor Pressure
0.030 mm Hg
Water solubility
2.84 mg/L
Melting Point
25-26 ° C
Class
4-Methylphenyl Isothiocyanate
Product Description
Product
4-Methylphenyl Isothiocyanate
CAS
622-59-3
Formula
C8H7NS
Synonym
4-Methylphenyl isothiocyanate; 4-Tolyl isothiocyanate; 4-Tolylisothiocyanate; BRN 0386032; EINECS 210-745-5; Isothiocyanic acid, 4-tolyl ester; Isothiocyanic acid, p-tolyl ester; p-Methylphenyl isothiocyanate; p-Tolyl isothiocyanate; 1-Isothiocyanato-4-methylbenzene; 4-12-00-01938 (Beilstein Handbook Reference)
Typical Product Specifications
Molecular weight
149.21
SMILES
c1(ccc(C)cc1)N=C=S
InChI
1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey
ABQKHKWXTUVKGF-UHFFFAOYSA-N
Henry's Law Constant
8.62E-04 atm-m3/mole
log P (octanol-water)
3.92
Boiling Point
237 ° C
Atmospheric OH Rate Constant
5.72E-12 cm3/molecule-sec
Vapor Pressure
0.030 mm Hg
Water solubility
2.84 mg/L
Melting Point
25-26 ° C
Class
