Methyl 3-(bromomethyl)-4-chlorobenzoate - CAS 220464-68-6

Catalog:	BB076957
Product Name:	Methyl 3-(bromomethyl)-4-chlorobenzoate
CAS:	220464-68-6
Synonyms:	Benzoic acid, 3-(bromomethyl)-4-chloro-, methyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 3-(bromomethyl)-4-chlorobenzoate
Molecular Weight:	263.52
Molecular Formula:	C9H8BrClO2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)Cl)CBr
InChI:	InChI=1S/C9H8BrClO2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
InChI Key:	OXXGTEJKZZKAJV-UHFFFAOYSA-N
Boiling Point:	314.6±32.0°C at 760 mmHg
Purity:	≥95%
Density:	1.561±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Halides

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[111-85-3]
1-Chlorooctane
[2114-39-8]
2-Bromo-1-phenylpropane
[393841-81-1]
2'-Bromo-2,7-DI-tert-butyl-9,9'-spirobi[fluorene]
[13294-71-8]
2-Bromo-2-butene, mixture of cis and trans

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	187
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:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3