Cas no 100620-48-2 (1-tert-butyl-4-(3-chloropropoxy)benzene)
100620-48-2 structure
Product Name:1-tert-butyl-4-(3-chloropropoxy)benzene
CAS No:100620-48-2
MF:C13H19ClO
MW:226.742363214493
CID:1127032
PubChem ID:12928625
Update Time:2025-04-20
1-tert-butyl-4-(3-chloropropoxy)benzene Chemical and Physical Properties
Names and Identifiers
-
- 1-tert-butyl-4-(3-chloropropoxy)benzene
- CTK0G8739
- (4-tert-butyl-phenyl)-(3-chloro-propyl)-ether
- ACMC-20m3pe
- Benzene, 1-(3-chloropropoxy)-4-(1,1-dimethylethyl)-
- AKOS009142694
- SureCN7415609
- AGN-PC-00K4NJ
- (4-tert-Butyl-phenyl)-(3-chlor-propyl)-aether
- CTK0G8739; (4-tert-butyl-phenyl)-(3-chloro-propyl)-ether; ACMC-20m3pe; Benzene, 1-(3-chloropropoxy)-4-(1,1-dimethylethyl)-; AKOS009142694; SureCN7415609; AGN-PC-00K4NJ; (4-tert-Butyl-phenyl)-(3-chlor-propyl)-aether;
- SCHEMBL7415609
- GNHPTRICCRQOQY-UHFFFAOYSA-N
- 4-(3-chloropropoxy)-(1,1-dimethylethyl)benzene
- 3-[4-(1,1-dimethylethyl)phenoxy]-1-chloropropane
- 4-(3-chloropropoxy)(1,1-dimethylethyl)benzene
- 100620-48-2
- DTXSID80513204
-
- Inchi： 1S/C13H19ClO/c1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14/h5-8H,4,9-10H2,1-3H3
- InChI Key： GNHPTRICCRQOQY-UHFFFAOYSA-N
- SMILES： ClCCCOC1C=CC(=CC=1)C(C)(C)C
Computed Properties
- Exact Mass: 226.11257
- Monoisotopic Mass: 226.1124429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 166
- 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: 4.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
- LogP: 3.99180
1-tert-butyl-4-(3-chloropropoxy)benzene Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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