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  • 3,4-Dichlorobenzoyl chloride
Name:3,4-Dichlorobenzoyl chloride
CAS No:3024-72-4

PRODUCT DESCRIPTION

【Name】
3,4-Dichlorobenzoyl chloride
【CAS Registry number】
3024-72-4
【EINECS(EC#)】
221-177-2
【Molecular Formula】
C7H3Cl3O (Products with the same molecular formula)
【Molecular Weight】
209.46
【Inchi】
InChI=1/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
【InChIKey】
VTXNOVCTHUBABW-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=C(C=C1C(=O)Cl)Cl)Cl
【MOL File】
3024-72-4.mol

Chemical and Physical Properties

【Appearance】
white crystals
【Density】
1.445g/cm3
【Melting Point】
30-33℃
【Boiling Point】
242℃
【Refractive Index】
1.566
【Flash Point】
142℃
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Keep container closed when not in use. Corrosives area. Store protected from moisture.
【Computed Properties】
Molecular Weight:209.45712 [g/mol]
Molecular Formula:C7H3Cl3O
XLogP3:4.4
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: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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