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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 640708Generated: October 25, 2026

Ethyl 1,3-benzothiazole-2-carboxylate

RARECHEM AL BI 0472 · (2-Ethoxycarbonyl)benzothiazole · ETHYL BENZOTHIAZOLE-2-CARBOXYLATE · Ethylbenzothiazole-2-carboxylate,98% · 2-(Ethoxycarbonyl)-1,3-benzothiazole · Ethyl Benzothiazole-2-carboxylate >Ethyl 1,3-benzothiazole-2-carboxylate · Ethyl 1,3-benzothiazole-2-carboxylate ,97% · Benzothiazole-2-carboxylic acid ethyl ester

https://huagongshe.com/en/chemical/640708

Ethyl 1,3-benzothiazole-2-carboxylate molecular structure

Identifiers & Physical Properties

CAS No.32137-76-1
Molecular formulaC10H9NO2S
Average molar mass207.25 g/mol
Monoisotopic mass207.03539953 g/mol
SMILESCCOC(=O)c1nc2ccccc2s1
InChIKeyVLQLCEXNNGQELL-UHFFFAOYSA-N
PubChem CID640708
ChEMBLCHEMBL1558989
EC No.642-629-9
DTXSIDDTXSID00348792

Chemical & Physical Properties

XLogP2.9
Topological polar surface area67.4
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds3
Heavy atoms14
Formal charge0
Complexity222
Melting point68-72 °C
Boiling point312.8±25.0 °C(Predicted)
Density1.290±0.06 g/cm3(Predicted)
Storage conditionsSealed in dry,Room Temperature
Physical statesolid
pKa (acidity coefficient)-1.07±0.10(Predicted)
ColorPale yellow
λmax287nm(CHCl3)(lit.)
InChIInChI=1S/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3
InChIKeyVLQLCEXNNGQELL-UHFFFAOYSA-N
SMILESS1C2=CC=CC=C2N=C1C(OCC)=O
UNSPSC Code12352100
GHS pictogramGHS06,GHS08
Signal wordDanger
GHS hazard statementsH330-H315-H319-H370-H372-H317-H334-H351-H412
GHS precautionary statementsP501-P273-P272-P260-P270-P202-P201-P271-P264-P280-P284-P302+P352-P337+P313-P305+P351+P338-P308+P311-P362+P364-P333+P313-P304+P340+P310-P403+P233-P405
Hazard symbolsXi
Water hazard class (WGK)3
Hazard classIRRITANT
Customs code29349990
Storage class11 - Combustible Solids

Safety & Regulations

GHS classificationWarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Water hazard class (WGK)3
Customs code29349990
Signal wordDanger
GHS pictogramGHS06,GHS08
Hazard symbolsXi
Hazard classIRRITANT
Storage class11 - Combustible Solids
GHS hazard statementsH330-H315-H319-H370-H372-H317-H334-H351-H412
GHS precautionary statementsP501-P273-P272-P260-P270-P202-P201-P271-P264-P280-P284-P302+P352-P337+P313-P305+P351+P338-P308+P311-P362+P364-P333+P313-P304+P340+P310-P403+P233-P405
Ethyl 1,3-benzothiazole-2-carboxylate｜Huagongshe