Ethyl 2-(2-bromothiazol-4-yl)acetate - CAS 56355-79-4

Catalog:	BB054646
Product Name:	Ethyl 2-(2-bromothiazol-4-yl)acetate
CAS:	56355-79-4
Synonyms:	(2-Bromo-thiazol-4-yl)-acetic Acid Ethyl Ester; 4-Thiazoleacetic acid, 2-bromo-, ethyl ester; 2-Bromo-4-thiazoleacetic acid ethyl ester; Ethyl 2-bromothiazole-4-acetate; Ethyl 2-bromo-4-thiazolylacetate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 2-(2-bromo-1,3-thiazol-4-yl)acetate
Molecular Weight:	250.11
Molecular Formula:	C7H8BrNO2S
Canonical SMILES:	CCOC(=O)CC1=CSC(=N1)Br
InChI:	InChI=1S/C7H8BrNO2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3
InChI Key:	DHFZEWZLCNRIRX-UHFFFAOYSA-N
Boiling Point:	291.9±15.0°C at 760 mmHg
Purity:	≥95%
Density:	1.587±0.1 g/cm3

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Related Functional Groups

Halides

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Oxazole/Thiazole

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2-[(5-(2-Furyl)isoxazol-3-yl)methoxy]acetic acid
[3973-08-8]
4-Thiazolecarboxylic acid
[262857-90-9]
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ERRα antagonist-1

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.94591
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.94591
Rotatable Bond Count:	4
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2