CAS
120-50-3 Purity
95%+
120-50-3 Purity
95%+
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Benzoic acid,4-isothiocyanato-,ethyl ester
CAS
1205-06-7
Catalog Number
ACM1205067
Category
Other Products
Molecular Weight
207.249
Molecular Formula
C10H9NO2S
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Specification
Synonyms
Ethyl 4-isothiocyanatobenzoate, ALBB-000243, EINECS 214-880-0, NSC294821, STK301814, ZINC00167288, Benzoic acid, 4-isothiocyanato-, ethyl ester, 4-ETHOXYCARBONYLPHENYL-ISOTHIOCYANATE, 1205-06-7, InChI=1/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H
IUPAC Name
ethyl 4-isothiocyanatobenzoate
Canonical SMILES
CCOC(=O)C1=CC=C(C=C1)N=C=S
InChI Key
MLOJHUCMCKBDLV-UHFFFAOYSA-N
Boiling Point
327.5ºC at 760 mmHg 123-127ºC 1mm
Melting Point
57ºC
Flash Point
151.9ºC
Density
1.14 g/cm³
Appearance
White to yellow Solid
EC Number
214-880-0
Exact Mass
207.03500
Hazard Statements
C,T,Xi
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
II
Safety Description
S26-S36/37/39
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