Cas no 73252-54-7 ((2-bromo-3,4,5-trimethoxyphenyl)methanol)
73252-54-7 structure
Product Name:(2-bromo-3,4,5-trimethoxyphenyl)methanol
CAS No:73252-54-7
MF:C10H13BrO4
MW:277.111822843552
CID:977932
PubChem ID:323461
Update Time:2025-04-19
(2-bromo-3,4,5-trimethoxyphenyl)methanol Chemical and Physical Properties
Names and Identifiers
-
- (2-bromo-3,4,5-trimethoxyphenyl)methanol
- NSC-283815
- NSC283815
- DTXSID50314462
- SCHEMBL2024931
- 73252-54-7
- DS-007722
- (2-Bromo-3,4,5-trimethoxy-phenyl)methanol
-
- Inchi： 1S/C10H13BrO4/c1-13-7-4-6(5-12)8(11)10(15-3)9(7)14-2/h4,12H,5H2,1-3H3
- InChI Key： KGVIQWPEHZXJTR-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=CC=1CO)OC)OC)OC
Computed Properties
- Exact Mass: 275.99969
- Monoisotopic Mass: 275.99972g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 190
- 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: 1.6
- Topological Polar Surface Area: 47.9?2
Experimental Properties
- Density: 1.447
- Boiling Point: 351.7°C at 760 mmHg
- Flash Point: 166.5°C
- Refractive Index: 1.543
- PSA: 47.92
- LogP: 1.96720
(2-bromo-3,4,5-trimethoxyphenyl)methanol Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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