3-methoxycarbonylphenyl isothiocyanate

Modify Date: 2025-08-20 18:05:39

3-methoxycarbonylphenyl isothiocyanate Structure
3-methoxycarbonylphenyl isothiocyanate structure
Common Name 3-methoxycarbonylphenyl isothiocyanate
CAS Number 3125-66-4 Molecular Weight 193.22200
Density 1.23 Boiling Point 105 °C
Molecular Formula C9H7NO2S Melting Point N/A
MSDS USA Flash Point 105-106°C/0.45m

 Names

Name methyl 3-isothiocyanatobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.23
Boiling Point 105 °C
Molecular Formula C9H7NO2S
Molecular Weight 193.22200
Flash Point 105-106°C/0.45m
Exact Mass 193.02000
PSA 70.75000
LogP 2.20750
Index of Refraction 1.6240
InChIKey NQXFZEJJHPUMMF-UHFFFAOYSA-N
SMILES COC(=O)c1cccc(N=C=S)c1
Storage condition Keep Cold

 Safety Information

Hazard Codes T: Toxic;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39
RIDADR 2810
Packaging Group II
Hazard Class 6.1

 Synonyms

3-Methoxycarbonylphenyl isothiocyanate
3-carbomethoxyphenyl isothiocyanate
MFCD00041080
3-Isothiocyanato-benzoesaeure-methylester
3-(Methoxycarbonyl)phenyl isothiocyanate
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