Cas no 51503-07-2 (Benzene, 1-(chloromethyl)-4-(1,1-dimethylethoxy)-)
51503-07-2 structure
Product Name:Benzene, 1-(chloromethyl)-4-(1,1-dimethylethoxy)-
CAS No:51503-07-2
MF:C11H15ClO
MW:198.689202547073
CID:362151
PubChem ID:535218
Update Time:2025-04-19
Benzene, 1-(chloromethyl)-4-(1,1-dimethylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(chloromethyl)-4-(1,1-dimethylethoxy)-
- 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
- 1-tert-butoxy-4-(chloromethyl)benzene
- 1-Chloromethyl-4-(1,1-dimethylethoxy)benzene
- AC1LBGAM
- AG-J-17057
- CTK1G4670
- SureCN3363834
- DTXSID40336653
- AKOS022771173
- SOOPMPABJXPFML-UHFFFAOYSA-N
- 1-tert-Butoxy-4-(chloromethyl)benzene #
- SCHEMBL3363834
- 51503-07-2
-
- MDL： MFCD11110158
- Inchi： 1S/C11H15ClO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
- InChI Key： SOOPMPABJXPFML-UHFFFAOYSA-N
- SMILES： ClCC1C=CC(=CC=1)OC(C)(C)C
Computed Properties
- Exact Mass: 198.08125
- Monoisotopic Mass: 198.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 143
- 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: 3.3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-(chloromethyl)-4-(1,1-dimethylethoxy)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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