Ethyl 2,5-dichlorothiazole-4-carboxylate - CAS 135925-33-6

Catalog:	BB076935
Product Name:	Ethyl 2,5-dichlorothiazole-4-carboxylate
CAS:	135925-33-6
Synonyms:	2,5-Dichloro-thiazole-4-carboxylic acid ethyl ester; 4-Thiazolecarboxylic acid, 2,5-dichloro-, ethyl ester; Ethyl 2,5-dichloro-4-thiazolecarboxylate; Ethyl 2,5-dichloro-4-thiazolecarboxylate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate
Molecular Weight:	226.08
Molecular Formula:	C6H5Cl2NO2S
Canonical SMILES:	CCOC(=O)C1=C(SC(=N1)Cl)Cl
InChI:	InChI=1S/C6H5Cl2NO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
InChI Key:	RVQIIQNBWNEWKU-UHFFFAOYSA-N
Boiling Point:	319.8±45.0°C (Predicted)
Purity:	≥95%
Density:	1.502±0.06 g/cm3 (Predicted)
Storage:	Store at 2-8°C under inert gas (nitrogen or argon)

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[4860-03-1]
1-Chlorohexadecane
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Oxazole/Thiazole

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[120740-06-9]
[(2-chloro-1,3-thiazol-5-yl)methyl](methyl)amine
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[16188-30-0]
4-Thiazolemethanamine
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[1072145-33-5]
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:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.941805
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.941805
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4