Methyl 3-chloro-4-methylthiophene-2-carboxylate - CAS 175137-11-8

Catalog:	BB076889
Product Name:	Methyl 3-chloro-4-methylthiophene-2-carboxylate
CAS:	175137-11-8
Synonyms:	2-Thiophenecarboxylic acid, 3-chloro-4-methyl-, methyl ester; Methyl 3-chloro-4-methyl-2-thiophenecarboxylate; 3-chloro-4-methyl-2-thiophenecarboxylic acid methyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 3-chloro-4-methylthiophene-2-carboxylate
Molecular Weight:	190.65
Molecular Formula:	C7H7ClO2S
Canonical SMILES:	CC1=CSC(=C1Cl)C(=O)OC
InChI:	InChI=1S/C7H7ClO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,1-2H3
InChI Key:	BUFSIDWTJVUAER-UHFFFAOYSA-N
Boiling Point:	263.3±35.0°C at 760 mmHg
Melting Point:	75-77°C
Purity:	≥95%
Density:	1.3±0.1 g/cm3
Storage:	Store at RT

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GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9855283
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.9855283
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8