Cas no 5409-80-3 (Benzene,1-(2-chloroethoxy)-2-(chloromethyl)-4-methyl-)
5409-80-3 structure
Product Name:Benzene,1-(2-chloroethoxy)-2-(chloromethyl)-4-methyl-
CAS No:5409-80-3
MF:C10H12Cl2O
MW:219.107681274414
CID:383987
PubChem ID:224197
Update Time:2025-04-19
Benzene,1-(2-chloroethoxy)-2-(chloromethyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-(2-chloroethoxy)-2-(chloromethyl)-4-methyl-
- (2-chloro-ethyl)-(2-chloromethyl-4-methyl-phenyl)-ether
- (2-Chlor-aethyl)-(2-chlormethyl-4-methyl-phenyl)-aether
- NSC12531
- DTXSID00279375
- 5409-80-3
- NSC-12531
- 1-(2-chloroethoxy)-2-(chloromethyl)-4-methylbenzene
-
- Inchi: 1S/C10H12Cl2O/c1-8-2-3-10(13-5-4-11)9(6-8)7-12/h2-3,6H,4-5,7H2,1H3
- InChI Key: WOPWBSQWQNEPHL-UHFFFAOYSA-N
- SMILES: ClCC1C=C(C)C=CC=1OCCCl
Computed Properties
- Exact Mass: 218.02666
- Monoisotopic Mass: 218.0265204g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 141
- 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
- XLogP3: 3.2
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
- LogP: 3.35140
Benzene,1-(2-chloroethoxy)-2-(chloromethyl)-4-methyl- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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