Cas no 2387-18-0 (Benzene,1,4-bis(chloromethyl)-2-methyl-)
2387-18-0 structure
Product Name:Benzene,1,4-bis(chloromethyl)-2-methyl-
Benzene,1,4-bis(chloromethyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,4-bis(chloromethyl)-2-methyl-
- 3,6-bis(chloromethyl)toluene
- 1,4-bis(chloromethyl)-2-methylbenzene
- SCHEMBL6914100
- 2387-18-0
- 2,5-bis(chloromethyl)-toluene
- YME6XL2MS2
- 2,5-bis(chloromethyl)toluene
- EINECS 219-211-6
- Benzene, 1,4-bis(chloromethyl)-2-methyl-
- NS00027494
- DTXSID00178571
-
- Inchi： 1S/C9H10Cl2/c1-7-4-8(5-10)2-3-9(7)6-11/h2-4H,5-6H2,1H3
- InChI Key： AUZOUQPAAITHQE-UHFFFAOYSA-N
- SMILES： ClCC1C=CC(CCl)=CC=1C
Computed Properties
- Exact Mass: 188.0161
- Monoisotopic Mass: 188.0159557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene,1,4-bis(chloromethyl)-2-methyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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