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  • 2,6-Dichlorobenzoyl chloride
Name:2,6-Dichlorobenzoyl chloride
CAS No:4659-45-4

PRODUCT DESCRIPTION

【Name】
2,6-Dichlorobenzoyl chloride
【Iupac name】
2,6-dichlorobenzoyl chloride
【CAS Registry number】
4659-45-4
【EINECS(EC#)】
225-102-4
【Molecular Formula】
C7H3Cl3O (Products with the same molecular formula)
【Molecular Weight】
209.46
【Inchi】
InChI=1/C7H3Cl3O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H
【InChIKey】
JBLIDPPHFGWTKU-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl
【MOL File】
4659-45-4.mol

Chemical and Physical Properties

【Appearance】
Micro decadent liquid
【Density】
1.45
【Melting Point】
18℃
【Boiling Point】
142-143℃ (21 torr)
【Refractive Index】
1.559-1.561
【Flash Point】
107.4 °C
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29163900
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:209.45712 [g/mol]
Molecular Formula:C7H3Cl3O
XLogP3:3.2
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:150
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:1

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 3265 8

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