Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate

HCID 594903CAS 7238-62-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1sc(Cl)nc1C
InChIKey
VUARUZUFHDNJSY-UHFFFAOYSA-N
Molecular formula
C7H8ClNO2S
Average molar mass
205.66 g/mol
Monoisotopic mass
204.99642718

Overview

Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate is an aromatic carboxylic acid and a member of thiazoles.

Names & identifiers

Preferred name
Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
IUPAC
ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
English name
Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
Molecular formula
C7H8ClNO2S
Molecular weight
205.66

Names & synonyms

7238-62-2Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylateDTXSID70344185RefChem:342722DTXCID30295260ethyl 2-chloro-4-methylthiazole-5-carboxylateMFCD02956798C7H8ClNO2SSCHEMBL1873165-Thiazolecarboxylic acid, 2-chloro-4-methyl-, ethyl esterCHEBI:194772BBL010831
Show more names
2-Chloro-4-methyl-5-ethoxycarbonylthiazoleEthyl 2-chloro-4-methyl-5-thiazolecarboxylateEthyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate 97%2-Chloro-4-methyl-5-thiazolecarboxylic acid ethyl esterEthyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate ,97%2-Chloro-4-methylthiazole-5-carboxylic acid ethyl ester
ethyl 2-chloro-4-methyl-thiazole-5-carboxylateAMY41349orb3030983Fr13079SBB093549STK801772AKOS001787096AB12784

Database identifiers

CAS
7238-62-2
PubChem CID
594903
DTXSID
DTXSID70344185
ChEBI
CHEBI:194772
Nikkaji
J101.666K

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
67.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
46 °C · 46 °C
Boiling point
116 ℃ · 116℃
Density
1.328 · 1.328±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Storage temp. -20°C
pka
-0.1 · -0.10±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

Safety data

hs_code
2934100090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_note
Harmful
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P312

Chemistry & industry

Upstream & downstream products

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate is an aromatic carboxylic acid and a member of thiazoles.

Related reactions

14 records
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Linked notes

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