Cas no 13345-58-9 (2-(12-methyltetraphen-7-yl)ethanol)
13345-58-9 structure
Product Name:2-(12-methyltetraphen-7-yl)ethanol
CAS No:13345-58-9
MF:C21H18O
MW:286.367025852203
CID:1232947
PubChem ID:202805
Update Time:2025-04-20
2-(12-methyltetraphen-7-yl)ethanol Chemical and Physical Properties
Names and Identifiers
-
- 2-(12-methyltetraphen-7-yl)ethanol
- 12-Methylbenz[a]anthracene-7-ethanol
- 2-(12-methylbenzo[a]anthracen-7-yl)ethanol
- 7-(2-Hydroxyethyl)-12-methylbenz[a]anthracene
- DTXSID60158117
- 13345-58-9
- 4-06-00-05104 (Beilstein Handbook Reference)
- 7-(2-Hydroxyethyl)-12-methylbenz(a)anthracene
- IXGOHTMJBQGTMH-UHFFFAOYSA-N
- BRN 3364731
- Benz(a)anthracene-7-ethanol, 12-methyl-
-
- Inchi： 1S/C21H18O/c1-14-16-7-4-5-9-18(16)19(12-13-22)20-11-10-15-6-2-3-8-17(15)21(14)20/h2-11,22H,12-13H2,1H3
- InChI Key： IXGOHTMJBQGTMH-UHFFFAOYSA-N
- SMILES： OCCC1C2C=CC=CC=2C(C)=C2C3C=CC=CC=3C=CC2=1
Computed Properties
- Exact Mass: 286.13584
- Monoisotopic Mass: 286.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 378
- 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
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.0402 (rough estimate)
- Boiling Point: 388.73°C (rough estimate)
- Flash Point: 220°C
- Refractive Index: 1.4880 (estimate)
- PSA: 20.23
2-(12-methyltetraphen-7-yl)ethanol Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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