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Structure

Methyl 2-[(cyanomethyl)thio]benzoate

CAS
57601-89-5
Catalog Number
ACM57601895
Category
Other Products
Molecular Weight
207.25
Molecular Formula
C10H9NO2S

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Specification

Synonyms
METHYL 2-[(CYANOMETHYL)THIO]BENZOATE;METHYL 2-[(CYANOMETHYL)SULFANYL]BENZENECARBOXYLATE;BUTTPARK 94\04-12
IUPAC Name
methyl 2-(cyanomethylsulfanyl)benzoate
Canonical SMILES
COC(=O)C1=CC=CC=C1SCC#N
InChI Key
IZZWSNNLFRAPRY-UHFFFAOYSA-N
Boiling Point
338.6ºC at 760 mmHg
Melting Point
121ºC
Flash Point
158.6ºC
Density
1.24g/cm³
Exact Mass
207.03500
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
S36/37
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