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  • 4-Bromobenzoyl chloride
Name:4-Bromobenzoyl chloride
CAS No:586-75-4

PRODUCT DESCRIPTION

【Name】
4-Bromobenzoyl chloride
【Iupac name】
4-bromobenzoyl chloride
【CAS Registry number】
586-75-4
【Synonyms】
4-Brorobenzoylchloride
p-Bromobenzoyl chloride
【EINECS(EC#)】
209-580-1
【Molecular Formula】
C7H4BrClO (Products with the same molecular formula)
【Molecular Weight】
219.46
【Inchi】
InChI=1/C7H4BrClO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
【Canonical SMILES】
C1=CC(=CC=C1C(=O)Cl)Br
【MOL File】
586-75-4.mol

Chemical and Physical Properties

【Appearance】
Pale yellow crystalline
【Density】
1.662 g/cm3
【Melting Point】
36-41℃
【Boiling Point】
246℃
【Refractive Index】
1.584
【Flash Point】
103 °C
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures. Moisture sensitive.
【HS Code】
29163900
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:219.46306 [g/mol]
Molecular Formula:C7H4BrClO
XLogP3:3.8
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:217.913405
MonoIsotopic Mass:217.913405
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:130
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 Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R34
【Safety Statements 】
S26;S36/37/39;S45
【HazardClass】
8
【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
UN 3261 8

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