Ethyl 4-methyl-1,3-thiazole-2-carboxylate

HCID 567306

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Basic information

CAS: 7210-73-3
Standard SMILES: CCOC(=O)c1nc(C)cs1
InChIKey: YJWKNFZGGQBYGD-UHFFFAOYSA-N
Molecular formula: C7H9NO2S
Average molar mass: 171.22 g/mol
Monoisotopic mass: 171.03539953

Names & identifiers

Preferred name: Ethyl 4-methyl-1,3-thiazole-2-carboxylate
IUPAC: ethyl 4-methyl-1,3-thiazole-2-carboxylate
English name: 4-Methylthiazole-2-carboxylic acid ethylester
Molecular formula: C7H9NO2S
Molecular weight: 171.22

Names & synonyms

Ethyl 4-methyl-1,3-thiazole-2-carboxylateRefChem:595459843-911-6Ethyl 4-methylthiazole-2-carboxylate7210-73-3MFCD111121132-Thiazolecarboxylic acid, 4-methyl-, ethyl esterEthyl4-methylthiazole-2-carboxylateSCHEMBL108390DTXSID20340778HAA21073AKOS010644265

Show more names

2-(Ethoxycarbonyl)-4-methyl-1,3-thiazole4-Methylthiazol-2-carbonsaeure-ethylester4-Methylthiazole-2-carboxylic acid ethylester4-Methyl-2-thiazolecarboxylic acid ethyl ester

PS-4075SY498726CS-0208051EN300-83992Ethyl 4-methyl-1,3-thiazole-2-carboxylate #4-methyl-thiazole-2-carboxylic acid ethyl esterF066972

Database identifiers

CAS: 7210-73-3
PubChem CID: 567306
DTXSID: DTXSID20340778
EC Number: 843-911-6
Nikkaji: J102.370E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 130 · 130-132 °C(Press: 16 Torr)
Density: 1.198 · 1.198±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 0.85 · 0.85±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.