| CAS Number | 2719-39-3 |
| Catalog Number | AG007LO3(AGN-PC-0JSDL2) |
| Chemical Name | 2-Chloro-1-(chloromethyl)-4-methylbenzene |
| IUPAC Name | 2-chloro-1-(chloromethyl)-4-methylbenzene |
| InChI | InChI=1S/C8H8Cl2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,5H2,1H3 |
| InChI Key | RQYVMDCDEGTWQD-UHFFFAOYSA-N |
| MDL Number | MFCD18393679 |
| Molecular Formula | C8H8Cl2 |
| Molecular Weight | 175.0551 |
| SMILES | CC1=CC(Cl)=C(CCl)C=C1 |
| Synonyms | 2-chloro-1-(chloromethyl)-4-methylbenzene,
2719-39-3,
2-chloro-4-methylbenzyl chloride,
Benzene, 2-chloro-1-(chloromethyl)-4-methyl-,
2-chloro-p-xylylchloride,
AC1LB1XR,
SCHEMBL7039692,
CTK0J2772,
DTXSID90335853,
RQYVMDCDEGTWQD-UHFFFAOYSA-N,
ZINC95931702,
NE39412,
CID527625,
2-chloro-1-(chloromethyl)-4-methyl-benzene,
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| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.052g/mol |
| Monoisotopic Mass | 174g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number