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  • Benzoyl chloride,4-chloro-2-fluoro
Name:Benzoyl chloride,4-chloro-2-fluoro
CAS No:394-39-8

PRODUCT DESCRIPTION

【Name】
Benzoyl chloride,4-chloro-2-fluoro-
【Iupac name】
4-chloro-2-fluorobenzoyl chloride
【CAS Registry number】
394-39-8
【Synonyms】
2-Fluoro-4-chlorobenzoylchloride
【Molecular Formula】
C7H3Cl2FO (Products with the same molecular formula)
【Molecular Weight】
193
【Inchi】
InChI=1/C7H3Cl2FO2/c8-4-1-2-5(6(10)3-4)7(11)12-9/h1-3H
【Canonical SMILES】
C1=CC(=C(C=C1Cl)F)C(=O)Cl
【MOL File】
394-39-8.mol

Chemical and Physical Properties

【Density】
1.462g/cm3
【Boiling Point】
205.5°Cat760mmHg
【Refractive Index】
1.536
【Flash Point】
78.1°C
【Computed Properties】
Molecular Weight:193.002523 [g/mol]
Molecular Formula:C7H3Cl2FO
XLogP3-AA:3.2
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:191.954498
MonoIsotopic Mass:191.954498
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Formal Charge:0
Complexity:163
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:6

Safety and Handling

【Hazard Codes】
C: Corrosive;
【Risk Statements】
R34
【Safety Statements 】
26-36/37/39-45
【HazardClass】
CORROSIVE
【Hazard Note】
Corrosive
【Transport】
3265

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