4-Chloro-2-fluorobenzoyl Chloride - CAS 394-39-8

Catalog:	BB023985
Product Name:	4-Chloro-2-fluorobenzoyl Chloride
CAS:	394-39-8
Synonyms:	4-chloro-2-fluorobenzoyl chloride; 4-chloro-2-fluorobenzoyl chloride

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-2-fluorobenzoyl chloride
Description:	4-Chloro-2-fluorobenzoyl Chloride (CAS# 394-39-8 ) is a useful research chemical.
Molecular Weight:	193.00
Molecular Formula:	C7H3Cl2FO
Canonical SMILES:	C1=CC(=C(C=C1Cl)F)C(=O)Cl
InChI:	InChI=1S/C7H3Cl2FO/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3H
InChI Key:	PWHFJLCMUCFYRQ-UHFFFAOYSA-N
Boiling Point:	205.5 °C at 760 mmHg
Density:	1.462 g/cm³
MDL:	MFCD03093845
LogP:	2.85810

Publication Number	Title	Priority Date
CN-110818556-A	Method for producing high-purity 2-chloro-6-fluorobenzoyl chloride by using waste residues	20191208
CN-110845402-A	Pyridylmethylenepiperazine derivatives and uses thereof	20191122
CN-111187251-A	Pyridylpiperidine derivatives and use thereof	20191122
WO-2021097781-A1	Pyridine methylene piperidine derivative and use thereof	20191122
CN-109400625-A	Condensed-bicyclic class compound and its application in drug	20170817

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.9544983
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.9544983
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2