Cas no 105103-87-5 (Phenol, 5-bromo-2,4-dimethoxy-3-methyl-)
105103-87-5 structure
Product Name:Phenol, 5-bromo-2,4-dimethoxy-3-methyl-
CAS No:105103-87-5
MF:C9H11BrO3
MW:247.085842370987
CID:1150748
Update Time:2024-07-27
Phenol, 5-bromo-2,4-dimethoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
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- Phenol, 5-bromo-2,4-dimethoxy-3-methyl-
- 5-Bromo-2,4-dimethoxy-3-methylphenol
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- Inchi: 1S/C9H11BrO3/c1-5-8(12-2)6(10)4-7(11)9(5)13-3/h4,11H,1-3H3
- InChI Key: XIWIPSYKEQZQLK-UHFFFAOYSA-N
- SMILES: C1(O)=CC(Br)=C(OC)C(C)=C1OC
Computed Properties
- Exact Mass: 245.98913
Experimental Properties
- Density: 1.467±0.06 g/cm3(Predicted)
- Boiling Point: 320.7±37.0 °C(Predicted)
- PSA: 38.69
- pka: 9.63±0.28(Predicted)
Phenol, 5-bromo-2,4-dimethoxy-3-methyl- Related Literature
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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