Methyl 3-Chloro-4-methylbenzoate - CAS 56525-63-4

Catalog:	BB029388
Product Name:	Methyl 3-Chloro-4-methylbenzoate
CAS:	56525-63-4
Synonyms:	3-chloro-4-methylbenzoic acid methyl ester; methyl 3-chloro-4-methylbenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-chloro-4-methylbenzoate
Description:	Methyl 3-Chloro-4-methylbenzoate (CAS# 56525-63-4) is a useful research chemical.
Molecular Weight:	184.62
Molecular Formula:	C9H9ClO2
Canonical SMILES:	CC1=C(C=C(C=C1)C(=O)OC)Cl
InChI:	InChI=1S/C9H9ClO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChI Key:	KTFQDZCNPGFKAH-UHFFFAOYSA-N
Boiling Point:	68-70 °C (0.2 mmHg)
Density:	1.186 g/cm³
MDL:	MFCD00205141
LogP:	2.43500

Publication Number	Title	Priority Date
WO-2021129584-A1	Pd-l1 antagonist compound	20191226
US-2021047340-A1	Srebp inhibitors comprising a 6-membered central ring	20180129
WO-2019092125-A1	Glucose-sensitive albumin-binding derivatives	20171109
CN-111315751-A	Glucose-sensitive albumin binding derivatives	20171109
EP-3707145-A1	Glucose-sensitive albumin-binding derivatives	20171109

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0291072
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.0291072
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5