Cas no 6317-58-4 (1-(4-tert-butylphenoxy)-3-chloropropan-2-ol)
6317-58-4 structure
Product Name:1-(4-tert-butylphenoxy)-3-chloropropan-2-ol
CAS No:6317-58-4
MF:C13H19ClO2
MW:242.741763353348
CID:1645869
PubChem ID:238603
Update Time:2025-04-21
1-(4-tert-butylphenoxy)-3-chloropropan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-tert-butylphenoxy)-3-chloropropan-2-ol
- NSC43062
- AC1L61CW
- 1-Chlor-3-<
- tert.-butyl-phenoxy>
- -propanol-(2)
- 3-Chlor-1-<
- 4-tert.butyl-phenoxy>
- AR-1B2342
- 1-Chlor-3-(tert.-butyl-phenoxy)-propanol-(2)
- AG-J-41897
- AC1Q3TVZ
- CTK2F6456
- KST-1B7815
- NSC43062; AC1L61CW; 1-Chlor-3-< tert.-butyl-phenoxy> -propanol-(2); 3-Chlor-1-< 4-tert.butyl-phenoxy> -propanol-(2); AR-1B2342; 1-Chlor-3-(tert.-butyl-phenoxy)-propanol-(2); AG-J-41897; AC1Q3TVZ; CTK2F6456; KST-1B7815;
- DTXSID70285867
- NSC-43062
- 6317-58-4
-
- Inchi： 1S/C13H19ClO2/c1-13(2,3)10-4-6-12(7-5-10)16-9-11(15)8-14/h4-7,11,15H,8-9H2,1-3H3
- InChI Key： CASCJFFAYQFLJC-UHFFFAOYSA-N
- SMILES： ClCC(COC1C=CC(=CC=1)C(C)(C)C)O
Computed Properties
- Exact Mass: 242.10700
- Monoisotopic Mass: 242.107
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 193
- 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: 3.5
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1.091
- Boiling Point: 358°C at 760 mmHg
- Flash Point: 170.3°C
- Refractive Index: 1.513
- PSA: 29.46000
- LogP: 2.96260
1-(4-tert-butylphenoxy)-3-chloropropan-2-ol Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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