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Ethyl 2-Isothiocyanatobenzoate

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Ethyl 2-Isothiocyanatobenzoate / CAS : 99960-09-5

Appearance Grayish yellow liquid with pungent smell UN 2810
HS 29309090 DG Class 0.0
Synonyms 2-Isothiocyanato-Benzoic Acid Ethyl Ester; 2-(Etoxycarbonyl)Phenylisothiocyanate; Ethyl 2-Isoithiocyanatobenzoate
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Properties

Summary

Formula
C10H9NO2S
Molecular Mass
207.24900
Exact Mass
207.03500
PSA
70.75000
Logp
2.59760
IUPAC
ethyl 2-isothiocyanatobenzoate
SMILES
CCOC(=O)C1=CC=CC=C1N=C=S

Attribute classification

Matter Classification
organic
Category
Organic Chemical Materials > Aromatic Compounds

Chemical and Physical Properties

Melting Point
126°C
Density
1.201 g/mL at 25 °C(lit.)
Boiling Point
150 °C1 mm Hg(lit.)
Flash Point
>230 °F
Appearance
Grayish yellow liquid with pungent smell

Export information

HS Code
29309090
Export Rebate
13%
UN No.
2810
DG-Class
0.0
Risk Code
34
Safety Label
C

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