Methyl 3-Bromo-5-chloro-2-methylbenzoate - CAS 1403597-45-4

Name: Methyl 3-Bromo-5-chloro-2-methylbenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009059
Product Name:	Methyl 3-Bromo-5-chloro-2-methylbenzoate
CAS:	1403597-45-4
Synonyms:	3-bromo-5-chloro-2-methylbenzoic acid methyl ester; methyl 3-bromo-5-chloro-2-methylbenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-bromo-5-chloro-2-methylbenzoate
Description:	Methyl 3-Bromo-5-chloro-2-methylbenzoate (CAS# 1403597-45-4) is a useful research chemical.
Molecular Weight:	263.52
Molecular Formula:	C9H8BrClO2
Canonical SMILES:	CC1=C(C=C(C=C1C(=O)OC)Cl)Br
InChI:	InChI=1S/C9H8BrClO2/c1-5-7(9(12)13-2)3-6(11)4-8(5)10/h3-4H,1-2H3
InChI Key:	QGBAJBPFUZTWCR-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021036922-A1	Compound inhibiting and inducing degradation of egfr and alk	20190823
EP-3725314-A1	Substituted benzene compounds	20121015
AU-2012242604-A1	Substituted benzene compounds	20110413
AU-2012242604-B2	Substituted benzene compounds	20110413
AU-2017218920-A1	Substituted benzene compounds	20110413

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.93962
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.93962
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5