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1,3-Dichlorobenzene

CAT: 0572-TRC-D431930-500GSize: 500 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D431930-500GSize:500 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
541-73-1
Synonyms
Benzene, 1,3-dichloro-; Benzene, m-dichloro- (8CI); 1,3-Dichlorobenzene; 2,4-Dichlorobenzene; 2,6-Dichlorobenzene; NSC 8754; m-Dichlorobenzene; m-Dichlorobenzol; m-Phenylene dichloride
Hazard Statement
Combustible liquid; UN number: UN3082; Packing Group: III
Purity
>95% (GC)
Smiles
Clc1cccc(Cl)c1
Molecular Formula
C6 H4 Cl2
Molecular Weight
147
InChI
InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
Additionnal Information
IUPAC name: 1,3-dichlorobenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,3-Dichlorobenzene

1,3-dichlorobenzene is a dichlorobenzene carrying chloro substituents at positions 1 and 3.

CAS Number541-73-1
PubChem CID10943
IUPAC Name1,3-dichlorobenzene
Molecular FormulaC6H4Cl2
Molecular Weight147.00
XLogP3.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity64
SMILES
C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
ZPQOPVIELGIULI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dichlorobenzene
CAS: 541-73-1
CID: 10943
Formula: C6H4Cl2
MW: 147.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.00
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass145.9690055
Monoisotopic Mass145.9690055
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity64.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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4140262- (Benzyloxy) -1,3-dichlorobenzene
1584041-Bromo-3,5-dichlorobenzene
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FB645561-Bromo-3,4-dichlorobenzene
HAA77801-015- (Bromomethyl) -1,3-dichlorobenzene
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