4-Dimethylaminophenyl isothiocyanate
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Product Description
Product
4-Dimethylaminophenyl isothiocyanate
CAS
2131-64-8
Formula
C9H10N2S
Synonym
4-(Dimethylamino)phenyl isothiocyanate; 4-(N,N-Dimethylamino)phenyl isothiocyanate; 4-13-00-00173 (Beilstein Handbook Reference); 4-Isothiocyanato-N,N-dimethylaniline; Benzenamine, 4-isothiocyanato-N,N-dimethyl-; Benzenamine, 4-isothiocyanato-N,N-dimethyl- (9CI); BRN 0388270; EINECS 218-360-4; Isothiocyanic acid, p-(dimethylamino)phenyl ester; Isothiocyanic acid, p-dimethylaminophenyl ester; NSC 196179; p-(Dimethylamino)phenyl isothiocyanate; p-(N,N-Dimethylamino)phenyl isothiocyanate; p-(N-Dimethylamino)phenyl isothiocyanate; TL 1106
Typical Product Specifications
Molecular weight
178.25
SMILES
c1cc(N(C)C)ccc1N=C=S
InChI
1S/C9H10N2S/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3
InChIKey
HRDJPEMAGYHSJR-UHFFFAOYSA-N
log P (octanol-water)
3.96
Water solubility
23.3 mg/L
Henry's Law Constant
1.24E-05 atm-m3/mole
Vapor Pressure
2.69E-03 mm Hg
Atmospheric OH Rate Constant
2.03E-10 cm3/molecule-sec
Class
4-Dimethylaminophenyl isothiocyanate
Product Description
Product
4-Dimethylaminophenyl isothiocyanate
CAS
2131-64-8
Formula
C9H10N2S
Synonym
4-(Dimethylamino)phenyl isothiocyanate; 4-(N,N-Dimethylamino)phenyl isothiocyanate; 4-13-00-00173 (Beilstein Handbook Reference); 4-Isothiocyanato-N,N-dimethylaniline; Benzenamine, 4-isothiocyanato-N,N-dimethyl-; Benzenamine, 4-isothiocyanato-N,N-dimethyl- (9CI); BRN 0388270; EINECS 218-360-4; Isothiocyanic acid, p-(dimethylamino)phenyl ester; Isothiocyanic acid, p-dimethylaminophenyl ester; NSC 196179; p-(Dimethylamino)phenyl isothiocyanate; p-(N,N-Dimethylamino)phenyl isothiocyanate; p-(N-Dimethylamino)phenyl isothiocyanate; TL 1106
Typical Product Specifications
Molecular weight
178.25
SMILES
c1cc(N(C)C)ccc1N=C=S
InChI
1S/C9H10N2S/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3
InChIKey
HRDJPEMAGYHSJR-UHFFFAOYSA-N
log P (octanol-water)
3.96
Water solubility
23.3 mg/L
Henry's Law Constant
1.24E-05 atm-m3/mole
Vapor Pressure
2.69E-03 mm Hg
Atmospheric OH Rate Constant
2.03E-10 cm3/molecule-sec
Class
