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Alpha,Alpha'-Dichloro-o-xylene

CAT: 0572-TRC-C014120-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C014120-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
612-12-4
Synonyms
o-Xylene, alpha,alpha'-dichloro- (7CI,8CI); 1,2-Bis(chloromethyl)benzene; NSC 71934; o-Bis(chloromethyl)benzene; o-Xylene-alpha,alpha'-dichloride; o-Xylylene dichloride; 1,2-bis(chloromethyl)-Benzene
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
ClCc1ccccc1CCl
Molecular Formula
C8 H8 Cl2
Molecular Weight
175.055
InChI
InChI=1S/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
Additionnal Information
IUPAC name: 1,2-bis(chloromethyl)benzene
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,2-Bis(chloromethyl)benzene
CAS Number612-12-4
PubChem CID11919
IUPAC Name1,2-bis(chloromethyl)benzene
Molecular FormulaC8H8Cl2
Molecular Weight175.05
XLogP2.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity81
SMILES
C1=CC=C(C(=C1)CCl)CCl
InChI
InChI=1S/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
InChIKey
FMGGHNGKHRCJLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Bis(chloromethyl)benzene
CAS: 612-12-4
CID: 11919
Formula: C8H8Cl2
MW: 175.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.05
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass174.0003056
Monoisotopic Mass174.0003056
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity81.3
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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Alternative Products

CatalogName
38947698-100gAlpha, alpha-Dichloro-p-xylene
32404482Alpha, alpha-Dichloro-m-xylene
sc-239174α, α'-Dichloro-o-xylene
OR10779244-Nitro-alpha, alpha, alpha', alpha'-tetrabromo-o-xylene
sc-485283Alpha, alpha, alpha', alpha',4,5-Hexabromo-o-xylene
sc-487679Alpha, alpha'-Dianilino-p-xylene
sc-262982Alpha-Bromo-alpha, alpha, alpha'-alpha'-tetrafluoro-p-xylene
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