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  • 2-chloro-6-fluorobenzoyl chloride
Name:2-chloro-6-fluorobenzoyl chloride
CAS No:79455-63-3

PRODUCT DESCRIPTION

【Name】
2-chloro-6-fluorobenzoyl chloride
【Iupac name】
2-chloro-6-fluorobenzoyl chloride
【CAS Registry number】
79455-63-3
【Synonyms】
2-Chloro-6-fluorobenzene-1-carbonyl chloride
2-Chloro-6-Fluorbenzoyl Chloride
【SEINES(EC#)】
279-162-1
【Molecular Formula】
C7H3Cl2FO (Products with the same molecular formula)
【Molecular Weight】
193
【Inchi】
InChI=1/C7H3Cl2FO/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H
【Canonical SMILES】
C1=CC(=C(C(=C1)Cl)C(=O)Cl)F
【MOL File】
79455-63-3.mol

Chemical and Physical Properties

【Density】
1.43
【Melting Point】
57
【Boiling Point】
106-108℃ (15 mmHg)
【Refractive Index】
1.525
【Flash Point】
83.2°C
【Computed Properties】
Molecular Weight:193.002523 [g/mol]
Molecular Formula:C7H3Cl2FO
XLogP3:3.1
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:4

Safety and Handling

【Hazard Codes】
C:Corrosive;
【Risk Statements】
R34
【Safety Statements 】
S26;S36/37/39;S45
【HazardClass】
8
【Hazard Note】
Corrosive
【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
3265

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