Cas no 33460-02-5 (Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel-)
33460-02-5 structure
Product Name:Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel-
CAS No:33460-02-5
MF:C18H26
MW:242.399045467377
CID:294247
PubChem ID:57652730
Update Time:2025-04-19
Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel-
- (3-cyclohexylcyclohexyl)benzene
- 3-PHENYLBICYCLOHEXYL MIXTURE OF ISOMERS
- 1-Cyclohexyl-3-phenylcyclohexane
- 3-Phenylbicyclohexyl
- Bicyclohexyl, 3-phenyl-
- 37A5S13V6M
- (1,1'-Bicyclohexyl)-3-yl-benzene
- Benzene, (1,1'-bicyclohexyl)-3-yl-
- DTXSID50399895
- 20273-26-1
- 3-Phenyl-1,1'-bi(cyclohexane)
- UNII-37A5S13V6M
- 33460-02-5
-
- MDL: MFCD01863105
- Inchi: 1S/C18H26/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1,3-4,8-9,16-18H,2,5-7,10-14H2
- InChI Key: ONQUBGYEUGJCEM-UHFFFAOYSA-N
- SMILES: C1(CCCC(C2C=CC=CC=2)C1)C1CCCCC1
Computed Properties
- Exact Mass: 242.20300
- Monoisotopic Mass: 242.203
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.004?g/mL?at 20?°C(lit.)
- Boiling Point: 350°C at 760 mmHg
- Flash Point: Degrees Fahrenheit:228.2°F
Degrees Celsius:109°C - Refractive Index: n20/D 1.573
- PSA: 0.00000
- LogP: 5.54070
Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel- Security Information
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Safety Instruction: S23; S24/25
Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel- Related Literature
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
-
Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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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
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
33460-02-5 (Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel-) Related Products
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