4-Methylphenyl Isothiocyanate
Quantity
Unit
CAS #
622-59-3
PRODUCT
SYNONYM
4-Tolyl isothiocyanate; 4-12-00-01938 (Beilstein Handbook Reference); p-Tolyl isothiocyanate; 4-Methylphenyl isothiocyanate; p-Methylphenyl isothiocyanate; EINECS 210-745-5; 1-Isothiocyanato-4-methylbenzene; 4-Tolylisothiocyanate; Isothiocyanic acid, p-tolyl ester; Isothiocyanic acid, 4-tolyl ester; BRN 0386032
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FORMULA
C8H7NS
HAZARD
8 corrosive
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
Specialty Chemicals
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