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Home > Encyclopedia > 2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLICACID

2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLICACID

2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLICACID structure

2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLICACID 

structure
  • CAS No:

    40003-41-6

  • Formula:

    C5H4BrNO2S

  • Chemical Name:

    2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLICACID

  • Synonyms:

    IFLAB-BBF2124-0223;2-BROMO-4-METHYLTHIAZOLE-5-CARBOXYLICA&;2-BROMO-4-METHYLTHIAZOLE-5-CARBOXYLICACID;2-BroMo-4-Methyl-5-thiazolecarboxylicacid;2-Bromo-4-methylthiazole-5-carboxylicacid96%;2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLICACID

2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLICACID Basic Attributes

222.06

220.914597

DTXSID10384969

2934100090

Characteristics

78.4

2.2

1.9±0.1 g/cm3

158 °C (dec.)

349.5°C at 760 mmHg

165.2±22.3 °C

1.640

Safety Information

NONH for all modes of transport

3

43

36/37

Xi

P280

H317

|Warning|H317 (95.12%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory.

2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLICACID Use and Manufacturing

A solution of ethanolic NaOH (5 N, 15 mL) was added to a solution of compound 4 (1 mmol) in ethanol(20 mL) and the reaction mixture was stirred at room temperature for 14 h; the reaction progress was monitored by TLC. The reaction mixture was cooled and neutralized with conc. HCl. The organic layer was extracted with EtOAc and dried over anhydrous Na2SO4. The solvent was removed under reduced pressure to obtain crude product. The crude product was purified by column chromatography using silica gel(60–120 mesh) eluting with ethyl acetate and petroleum ether to obtain 2-bromo-4-methylthiazole-5-carboxylic acid 5 as off-white solid in 76percent yield. 1HNMR spectrum (CDCl3), δ, ppm: 13.19 s (1H), 2.54 s(3H). Mass spectrum (ESI-MS): m/z 223 [M + H]+.Step 4:

Computed Properties

Molecular Weight:222.06
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:220.91461
Monoisotopic Mass:220.91461
Topological Polar Surface Area:78.4
Heavy Atom Count:10
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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