Cas no 3964-61-2 (Phenol,2-chloro-4-cyclohexyl-)
Phenol,2-chloro-4-cyclohexyl- structure
Product Name:Phenol,2-chloro-4-cyclohexyl-
CAS No:3964-61-2
MF:C12H15ClO
MW:210.699902772903
CID:318534
PubChem ID:252661
Update Time:2025-04-19
Phenol,2-chloro-4-cyclohexyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2-chloro-4-cyclohexyl-
- 2-Chloro-4-cyclohexylphenol
- DTXSID50871045
- VVMQAIJCWNJCMK-UHFFFAOYSA-N
- 2-Chloro-4-cyclohexyl phenol
- NSC74802
- CCA06383
- 3964-61-2
- NSC-74802
- SCHEMBL7458427
- Phenol, 2-chloro-4-cyclohexyl-
-
- Inchi： 1S/C12H15ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9,14H,1-5H2
- InChI Key： VVMQAIJCWNJCMK-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)C1CCCCC1)O
Computed Properties
- Exact Mass: 210.08125
- Monoisotopic Mass: 210.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 177
- 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: 4.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.1600
- Melting Point: 40.5°C
- Boiling Point: 302.56°C (rough estimate)
- Refractive Index: 1.5300 (estimate)
- PSA: 20.23
- LogP: 4.09330
Phenol,2-chloro-4-cyclohexyl- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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