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1,3-Dichlorobenzene-d4

CAT: 0572-TRC-D439663-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D439663-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2199-70-4
Synonyms
Benzene-1,2,3,5-d4, 4,6-dichloro- (8CI,9CI); Benzene-1,2,3,5-d4, dichloro- (7CI); 1,3-Dichlorobenzene D4; 1,3-Dichlorobenzene-d4
Hazard Statement
No Data Available
Smiles
[2H]c1c([2H])c(Cl)c([2H])c(Cl)c1[2H]
Molecular Formula
C6 2H4 Cl2
Molecular Weight
151.03
InChI
InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H/i1D,2D,3D,4D
Additionnal Information
IUPAC name: 1,3-dichloro-2,4,5,6-tetradeuteriobenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,3-Dichlorobenzene-d4
CAS Number2199-70-4
PubChem CID12220718
IUPAC Name1,3-dichloro-2,4,5,6-tetradeuteriobenzene
Molecular FormulaC6H4Cl2
Molecular Weight151.02
XLogP3.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity64
SMILES
[2H]C1=C(C(=C(C(=C1[2H])Cl)[2H])Cl)[2H]
InChI
InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H/i1D,2D,3D,4D
InChIKey
ZPQOPVIELGIULI-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dichlorobenzene-d4
CAS: 2199-70-4
CID: 12220718
Formula: C6H4Cl2
MW: 151.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.02
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass149.9941125
Monoisotopic Mass149.9941125
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity64.9
Isotope Atom Count4
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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HY-Y0496S-011,4-Dichlorobenzene-d4
sc-2558951,2-Dichlorobenzene-d4
S-131014-Dichlorobenzene-d4
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3006361,4-Dichlorobenzene-d4 98%D (ZEOtope®)
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