Methyl 2-bromothiazole-5-carboxylate

Base Information

• Chemical Name: Methyl 2-bromothiazole-5-carboxylate
• CAS No.: 54045-74-8
• Molecular Formula: C₅H₄BrNO₂S
• Molecular Weight: 222.062
• Hs Code.: 29341000
• European Community (EC) Number: 676-528-6
• DSSTox Substance ID: DTXSID30378502
• Wikidata: Q72488864
• ChEMBL ID: CHEMBL5180259
• Mol file: 54045-74-8.mol

Synonyms:Methyl 2-bromothiazole-5-carboxylate;54045-74-8;methyl 2-bromo-1,3-thiazole-5-carboxylate;5-Thiazolecarboxylic acid, 2-bromo-, methyl ester;MFCD03788565;2-Bromothiazole-5-carboxylic acid methyl ester;2-bromo-1,3-thiazole-5-carboxylic acid methyl ester;Methyl2-bromothiazole-5-carboxylate;SCHEMBL472995;2-BROMO-THIAZOLE-5-CARBOXYLIC ACID METHYL ESTER;CHEMBL5180259;2-bromo-5-methoxycarbonylthiazole;DTXSID30378502;HNLVIKMXFBRZDF-UHFFFAOYSA-N;CS-D1612;methyl 2-bromothiazole-5-caboxylate;methyl 2-bromo-5-thiazolecarboxylate;AKOS005146042;AB16048;AC-4569;FS-1430;SY004483;Methyl 2-bromo-1,3-thiazol-5-carboxylate;Methyl 2-bromothiazole-5-carboxylate, 96%;methyl-2-bromo-1,3-thiazole-5-carboxylate;A7859;AM20100331;FT-0640215;M2669;EN300-35656;methyl 2-bromothiazole-5-carboxylate, AldrichCPR;W-200417;Methyl 2-bromo-1,3-thiazole-5-carboxylate;methyl 2-bromothiazole-5-carboxylate;Methyl 2-Bromo-1,3-thiazole-5-carboxylate

Chemical Property of Methyl 2-bromothiazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.00675mmHg at 25°C
• Melting Point: 78-80 °C
• Refractive Index: 1.577
• Boiling Point: 263.3 °C at 760 mmHg
• PKA: -1.09±0.10(Predicted)
• Flash Point: 113 °C
• PSA: 67.43000
• Density: 1.759 g/cm³
• LogP: 1.69220
• Storage Temp.: Keep Cold
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.91461
• Heavy Atom Count: 10
• Complexity: 144

Purity/Quality:

98% HPLC ^*data from raw suppliers

Methyl 2-Bromothiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CN=C(S1)Br