3,5-Dibromo-4-methylanisole
Basic information
- CAS
14542-71-3- Standard SMILES
COc1cc(Br)c(C)c(Br)c1- InChIKey
BZRKRRXRNGVEIZ-UHFFFAOYSA-N- Molecular formula
- C8H8Br2O
- Average molar mass
- 279.96 g/mol
- Monoisotopic mass
- 277.89418908
Names & identifiers
- Preferred name
- 3,5-Dibromo-4-methylanisole
- IUPAC
- 1,3-dibromo-5-methoxy-2-methylbenzene
- English name
- 2,6-Dibromo-4-methoxytoluene
- Molecular formula
- C8H8Br2O
- Molecular weight
- 279.96
Names & synonyms
3,5-Dibromo-4-methylanisole14542-71-31,3-Dibromo-5-methoxy-2-methylbenzene2,6-Dibromo-4-methoxytoluene1,3-dibromo-5-methoxy-2-methyl-benzeneBenzene, 1,3-dibromo-5-methoxy-2-methyl-MFCD00013526Anisole, 3,5-dibromo-4-methyl-2,6-DIBROMO-4-METHOXYTOLUENE, 98+per centEINECS 238-576-2SCHEMBL4297601DTXSID70163010
Show more names
3,5-Dibromo-4-methylainsole2,6-DIBROMO-4-METHOXYTOLUENE, 98+%1,3-Dibromo-2-methyl-5-methoxybenzene3,5-Dibromo-4-methyl-1-methoxybenzeneAnisole,3,5-dibroMo-4-Methyl- (7CI,8CI)
AKOS016002300DS-13999SY1031411,3-Dibromo-5-methoxy-2-methylbenzene #CS-0061183NS000247362,6-DIBROMO-4-METHOXYTOLUENE, 98+per cF221966
Database identifiers
- CAS
14542-71-3- PubChem CID
- 84513
- DTXSID
DTXSID70163010- EC Number
- 238-576-2
- Nikkaji
- J241.299C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 271.1 · 271.1±35.0 °C(Predicted)
- Density
- 1.727 · 1.727±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
Chemistry & industry
Applications
Uses2,6-Dibromo-4-methoxytoluene can be used as an intermediate in organic synthesis, especially in pharmaceutical and pesticide chemistry.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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