Cas no 54789-30-9 (Benzene, 1-(1-chloroethyl)-4-(chloromethyl)-)
54789-30-9 structure
Product Name:Benzene, 1-(1-chloroethyl)-4-(chloromethyl)-
CAS No:54789-30-9
MF:C9H10Cl2
MW:189.081700801849
CID:353667
PubChem ID:521539
Update Time:2025-04-19
Benzene, 1-(1-chloroethyl)-4-(chloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(1-chloroethyl)-4-(chloromethyl)-
- 1-(1-chloroethyl)-4-(chloromethyl)benzene
- 1-(1-Chloroethyl)-4-chloromethylbenzene
- 4-(1-Chloroethyl)benzyl chloride
- Benzene, 1-chloromethyl-4-(1-chloroethyl)-
- p-(Alpha-chloroethyl)benzyl chloride
- 1-(1-Chloroethyl)-4-(chloromethyl)benzene #
- SCHEMBL4574471
- DTXSID00334675
- OPVAKHQEJWPSQB-UHFFFAOYSA-N
- 54789-30-9
-
- Inchi： 1S/C9H10Cl2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7H,6H2,1H3
- InChI Key： OPVAKHQEJWPSQB-UHFFFAOYSA-N
- SMILES： ClC(C)C1C=CC(CCl)=CC=1
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: 106
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1-(1-chloroethyl)-4-(chloromethyl)- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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