Methyl 2-chloro-4-thiazolecarboxylate

Base Information

• Chemical Name: Methyl 2-chloro-4-thiazolecarboxylate
• CAS No.: 850429-61-7
• Molecular Formula: C₅H₄ClNO₂S
• Molecular Weight: 177.611
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID60428423
• Wikidata: Q72489492
• Mol file: 850429-61-7.mol

Synonyms:850429-61-7;Methyl 2-chloro-4-thiazolecarboxylate;Methyl 2-chlorothiazole-4-carboxylate;methyl 2-chloro-1,3-thiazole-4-carboxylate;Methyl2-Chloro-4-Thiazolecarboxylate;C5H4ClNO2S;SCHEMBL780372;DTXSID60428423;PZLJTHDJLAXFAW-UHFFFAOYSA-N;CL2506;MFCD06659909;AKOS006343484;AB26609;FS-3109;AM20110220;CS-0150759;FT-0647895;2-Chlorothiazole-4-carboxylicacid methyl ester;EN300-316380;A863795;methyl 2-chlorothiazole-4-carboxylate, AldrichCPR;J-522003

Chemical Property of Methyl 2-chloro-4-thiazolecarboxylate

Chemical Property:

• Vapor Pressure: 0.00653mmHg at 25°C
• Melting Point: 90-94
• Boiling Point: 271.2°C at 760 mmHg
• PKA: -1?+-.0.10(Predicted)
• Flash Point: 117.8°C
• PSA: 67.43000
• Density: 1.456g/cm³
• LogP: 1.58310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 176.9651272
• Heavy Atom Count: 10
• Complexity: 144

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 2-chlorothiazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CSC(=N1)Cl