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2-Chloro-p-xylene

CAT: 0572-TRC-C014030-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C014030-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95-72-7
Synonyms
p-Xylene, 2-chloro- (7CI,8CI); 2-Chloro-1,4-dimethylbenzene; 1,4-Dimethyl-2-chlorobenzene; 1-Chloro-2,5-dimethylbenzene 2,5-Dimethylchlorobenzene; Benzene, 2-chloro-1,4-dimethyl-; Chloro-p-xylene; Monochloro-p-xylene; NSC 60148
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC1=C(Cl)C=C(C)C=C1
Molecular Formula
C8H9Cl
Molecular Weight
140.61
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Chloro-p-xylene

structure in first source

CAS Number95-72-7
PubChem CID32883
IUPAC Name2-chloro-1,4-dimethylbenzene
Molecular FormulaC8H9Cl
Molecular Weight140.61
XLogP3.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity90
SMILES
CC1=CC(=C(C=C1)C)Cl
InChI
InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
InChIKey
KZNRNQGTVRTDPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chloro-p-xylene
CAS: 95-72-7
CID: 32883
Formula: C8H9Cl
MW: 140.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.61
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass140.0392780
Monoisotopic Mass140.0392780
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity90.6
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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