Ethyl 2,5-Dibromothiazole-4-carboxylate - CAS 208264-60-2

Catalog:	BB016336
Product Name:	Ethyl 2,5-Dibromothiazole-4-carboxylate
CAS:	208264-60-2
Synonyms:	2,5-dibromo-4-thiazolecarboxylic acid ethyl ester; ethyl 2,5-dibromo-1,3-thiazole-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2,5-dibromo-1,3-thiazole-4-carboxylate
Description:	Ethyl 2,5-Dibromothiazole-4-carboxylate (CAS# 208264-60-2) is a useful research chemical.
Molecular Weight:	314.98
Molecular Formula:	C6H5Br2NO2S
Canonical SMILES:	CCOC(=O)C1=C(SC(=N1)Br)Br
InChI:	InChI=1S/C6H5Br2NO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
InChI Key:	SAEIBOLCDWLABF-UHFFFAOYSA-N
Boiling Point:	327.2 °C at 760 mmHg
Density:	1.982 g/cm³
MDL:	MFCD09265487
LogP:	2.84480

Publication Number	Title	Priority Date
US-2011065698-A1	Novel protein kinase modulators	20090826
AU-693454-B2	Herbicidal thiazole derivatives	19930527
CA-2163786-A1	Herbicidal thiazole derivatives	19930527
EP-0700394-A1	Herbicidal thiazole derivatives	19930527
EP-0700394-B1	Herbicidal thiazole derivatives	19930527

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	314.83873
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	312.84077
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6