Ethyl 5-bromo-2-phenylthiazole-4-carboxylate

HCID 44558337

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Basic information

CAS: 914347-21-0
Standard SMILES: CCOC(=O)c1nc(-c2ccccc2)sc1Br
InChIKey: ONAJVAODOMRERW-UHFFFAOYSA-N
Molecular formula: C12H10BrNO2S
Average molar mass: 312.18 g/mol
Monoisotopic mass: 310.96156166

Names & identifiers

Preferred name: Ethyl 5-bromo-2-phenylthiazole-4-carboxylate
IUPAC: ethyl 5-bromo-2-phenyl-1,3-thiazole-4-carboxylate
English name: 5-Bromo-2-phenylthiazole-4-carboxylic acid ethyl ester
Molecular formula: C12H10BrNO2S
Molecular weight: 312.18

Names & synonyms

914347-21-0Ethyl 5-bromo-2-phenylthiazole-4-carboxylate5-Bromo-2-phenylthiazole-4-carboxylic acid ethyl esterethyl 5-bromo-2-phenyl-1,3-thiazole-4-carboxylateMFCD08275710Ethyl5-bromo-2-phenylthiazole-4-carboxylate4-THIAZOLECARBOXYLIC ACID, 5-BROMO-2-PHENYL-, ETHYL ESTERethyl 5-bromo-2-phenyl-thiazole-4-carboxylateSCHEMBL2078743DTXSID30659424ONAJVAODOMRERW-UHFFFAOYSA-NCL2516

Show more names

500g/10000Ethyl 2-phenyl-5-broMothiazole-4-carboxylate5-bromo-2-phenyl-4-thiazolecarboxylic acid ethyl ester4-Thiazolecarboxylicacid, 5-broMo-2-phenyl-, ethyl ester

SBB066504AKOS015897485AC-23319DS-10282SY109834DB-001983CS-0137570F079720

Database identifiers

CAS: 914347-21-0
PubChem CID: 44558337
DTXSID: DTXSID30659424

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 271

Physicochemical properties

Boiling point: 408 · 408.0±48.0 °C(Predicted)
Density: 1.5 · 1.500±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -1.63 · -1.63±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 8 · GHS08,GHS02
Signal word: Danger
Hazard statements: 304 · H304-H402-H226
Precautionary statements: 501 · P501-P273-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS08,GHS02
Hazard statements: H304-H402-H226
Precautionary statements: P501-P273-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405