Ethyl 2-Chlorothiazole-4-carboxylate - CAS 41731-52-6

Catalog:	BB024945
Product Name:	Ethyl 2-Chlorothiazole-4-carboxylate
CAS:	41731-52-6
Synonyms:	2-chloro-4-thiazolecarboxylic acid ethyl ester; ethyl 2-chloro-1,3-thiazole-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-chloro-1,3-thiazole-4-carboxylate
Description:	Ethyl 2-Chlorothiazole-4-carboxylate (CAS# 41731-52-6) is a useful research chemical.
Molecular Weight:	191.64
Molecular Formula:	C6H6ClNO2S
Canonical SMILES:	CCOC(=O)C1=CSC(=N1)Cl
InChI:	InChI=1S/C6H6ClNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChI Key:	GILVNZWYCBUGMT-UHFFFAOYSA-N
Boiling Point:	283.907 °C at 760 mmHg
Density:	1.384 g/cm³
MDL:	MFCD11045348
LogP:	1.97320

Publication Number	Title	Priority Date
CN-113493440-A	Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof	20200403
WO-2021197452-A1	Crystal form of free alkali of nitrogen-containing aromatic derivatives	20200403
WO-2021115286-A1	Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor	20191210
WO-2021043077-A1	Substituted pyrazine compound and preparation method therefor and use thereof	20190906
WO-2021018858-A1	6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer	20190729

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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:	190.9807773
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.9807773
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5