Cas no 58609-45-3 (1,1'-Biphenyl, 4-chloro-4'-ethyl-)
58609-45-3 structure
Product Name:1,1'-Biphenyl, 4-chloro-4'-ethyl-
CAS No:58609-45-3
MF:C14H13Cl
MW:216.706022977829
CID:341475
PubChem ID:13270640
Update Time:2025-04-19
1,1'-Biphenyl, 4-chloro-4'-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4-chloro-4'-ethyl-
- 1-chloro-4-(4-ethylphenyl)benzene
- 4-Chloro-4'-ethyl-1,1'-biphenyl
- SCHEMBL676804
- DTXSID50533555
- 1-(4-chlorophenyl)-4-ethylbenzene
- 1-ethyl-4-(4-chlorophenyl)benzene
- 58609-45-3
- BOWKEZIHDUGWRW-UHFFFAOYSA-N
-
- Inchi： 1S/C14H13Cl/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2H2,1H3
- InChI Key： BOWKEZIHDUGWRW-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1C=CC(=CC=1)CC
Computed Properties
- Exact Mass: 216.07069
- Monoisotopic Mass: 216.0705781g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 5.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,1'-Biphenyl, 4-chloro-4'-ethyl- Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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