Methyl 2-Chloro-4-fluorobenzoate - CAS 85953-29-3

Catalog:	BB037781
Product Name:	Methyl 2-Chloro-4-fluorobenzoate
CAS:	85953-29-3
Synonyms:	2-chloro-4-fluorobenzoic acid methyl ester; methyl 2-chloro-4-fluorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-chloro-4-fluorobenzoate
Description:	Methyl 2-Chloro-4-fluorobenzoate (CAS# 85953-29-3) is a useful research chemical.
Molecular Weight:	188.58
Molecular Formula:	C8H6ClFO2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)F)Cl
InChI:	InChI=1S/C8H6ClFO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3
InChI Key:	YZDLPZNWBRBZMZ-UHFFFAOYSA-N
Boiling Point:	110-115 °C (15 mmHg)
Density:	1.477 g/cm³
Appearance:	Liquid
MDL:	MFCD00173937
LogP:	2.26570

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic 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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.0040353
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.0040353
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5