Cas no 6279-13-6 ( )
structure
Product Name:
CAS No:6279-13-6
MF:C14H13BrO
MW:277.156423330307
CID:957908
PubChem ID:223495
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-[(2-bromophenyl)methyl]-2-methylphenol
- 4-(2-Brom-benzyl)-2-methyl-phenol
- 4-(2-bromobenzyl)-2-methylphenol
- 4-(2-bromo-benzyl)-2-methyl-phenol
- AC1L5CLQ
- AC1Q26E9
- AG-J-49058
- AR-1F5840
- CTK5B6053
- NSC11176
- 6279-13-6
- DTXSID30279065
- NSC-11176
-
-
- Inchi： 1S/C14H13BrO/c1-10-8-11(6-7-14(10)16)9-12-4-2-3-5-13(12)15/h2-8,16H,9H2,1H3
- InChI Key： UYPPMWQLMDGLTG-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1CC1C=CC(=C(C)C=1)O
Computed Properties
- Exact Mass: 276.01499
- Monoisotopic Mass: 276.014978
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 219
- 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
- Topological Polar Surface Area: 20.2
- XLogP3: 4.5
Experimental Properties
- Density: 1.387
- Boiling Point: 381°C at 760 mmHg
- Flash Point: 184.2°C
- Refractive Index: 1.617
- PSA: 20.23
Related Literature
-
1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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