CAS
16793-91-2 Purity
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16793-91-2 Purity
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Benzoyl isothiocyanate,4-methyl-
CAS
16794-68-6
Catalog Number
ACM16794686
Category
Other Products
Molecular Weight
177.223
Molecular Formula
C9H7 N O S
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Specification
Synonyms
4-Methylbenzoyl isothiocyanate, MolPort-000-157-070, ZINC02528094, CID140139, 16794-68-6
IUPAC Name
4-methylbenzoyl isothiocyanate
Canonical SMILES
CC1=CC=C(C=C1)C(=O)N=C=S
InChI Key
RZCAJUGXEPHWJY-UHFFFAOYSA-N
Boiling Point
283.9ºC at 760 mmHg , 100ºC/1mm Hg
Melting Point
100ºC
Flash Point
125.5ºC
Density
1.11 g/cm³
Appearance
clear amber liquid
Exact Mass
177.02500
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
26-36/37/39
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