Ethyl 2-bromothiazole-4-carboxylate - CAS 100367-77-9

Catalog:	BB000200
Product Name:	Ethyl 2-bromothiazole-4-carboxylate
CAS:	100367-77-9
Synonyms:	ethyl 2-bromo-1,3-thiazole-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-bromo-1,3-thiazole-4-carboxylate
Description:	Ethyl 2-bromothiazole-4-carboxylate (CAS# 100367-77-9) is a useful research chemical.
Molecular Weight:	236.09
Molecular Formula:	C6H6BrNO2S
Canonical SMILES:	CCOC(=O)C1=CSC(=N1)Br
InChI:	InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChI Key:	CNHISCQPKKGDPO-UHFFFAOYSA-N
Boiling Point:	277.6 °C at 760 mmHg
Purity:	97 %
Density:	1.654 g/cm³
Appearance:	White solid
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD03788564
LogP:	2.08230

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Oxazole/Thiazole

[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[1018165-66-6]
2-[(5-(2-Furyl)isoxazol-3-yl)methoxy]acetic acid
[3973-08-8]
4-Thiazolecarboxylic acid
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[1072145-33-5]
ERRα antagonist-1
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.93026
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.93026
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5