2,5-Dichlorothiazole-4-carboxylic acid - CAS 127426-30-6

Catalog:	BB054742
Product Name:	2,5-Dichlorothiazole-4-carboxylic acid
CAS:	127426-30-6
Synonyms:	4-Thiazolecarboxylic acid, 2,5-dichloro-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2,5-dichloro-1,3-thiazole-4-carboxylic acid
Molecular Weight:	198.03
Molecular Formula:	C4HCl2NO2S
Canonical SMILES:	C1(=C(SC(=N1)Cl)Cl)C(=O)O
InChI:	InChI=1S/C4HCl2NO2S/c5-2-1(3(8)9)7-4(6)10-2/h(H,8,9)
InChI Key:	YECAGDHSLDVMAG-UHFFFAOYSA-N
Boiling Point:	385.0±45.0 °C at 760 mmHg
Density:	1.8±0.1 g/cm3

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Related Functional Groups

Halides

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Oxazole/Thiazole

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4-Thiazolemethanamine
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[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
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ERRα antagonist-1
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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:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.9105048
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.9105048
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7