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  • Benzoyl chloride,2,5-dichloro
Name:Benzoyl chloride,2,5-dichloro
CAS No:2905-61-5

PRODUCT DESCRIPTION

【Name】
Benzoyl chloride,2,5-dichloro-
【Iupac name】
2,5-dichlorobenzoyl chloride
【CAS Registry number】
2905-61-5
【Synonyms】
2,5-Dichlorobenzoicacid chloride
NSC 41887
【EINECS(EC#)】
220-812-0
【Molecular Formula】
C7H3Cl3O (Products with the same molecular formula)
【Molecular Weight】
209.45
【Inchi】
InChI=1/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H
【Canonical SMILES】
C1=CC(=C(C=C1Cl)C(=O)Cl)Cl
【MOL File】
2905-61-5.mol

Chemical and Physical Properties

【Appearance】
white solid
【Density】
1.498 g/cm3
【Melting Point】
30oC
【Boiling Point】
252.3 °C at 760 mmHg ,95°C 1mm
【Vapour】
0.0195mmHg at 25°C
【Refractive Index】
1.576
【Flash Point】
103.6 °C
【Computed Properties】
Molecular Weight:209.45712 [g/mol]
Molecular Formula:C7H3Cl3O
XLogP3:3.8
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:207.924948
MonoIsotopic Mass:207.924948
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Formal Charge:0
Complexity:160
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
【Risk Statements】
R34
【Safety Statements 】
36/37/39
【Transport】
3261

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