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Structure

Acetic acid,2-isothiocyanato-,methyl ester

CAS
21055-37-8
Catalog Number
ACM21055378
Category
Other Products
Molecular Weight
131.15
Molecular Formula
C4H5NO2S

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Specification

Synonyms
Methyl isothiocyanatoacetate, Methyl 2-isothiocyanatoacetate, CID140795, NSC218418, ZINC01755266, BBV-104665, 21055-37-8
IUPAC Name
methyl 2-isothiocyanatoacetate
Canonical SMILES
COC(=O)CN=C=S
InChI Key
GOWGDPFDGIPFIK-UHFFFAOYSA-N
Boiling Point
138ºC
Flash Point
137-138°C/35mm
Density
1.21
Appearance
beige liquid, irritating odor
Exact Mass
131.00400
Hazard Statements
T: Toxic;
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
II
Safety Description
S26-S36-S36/37/39
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