1-Bromo-3,4-dimethoxy-2-methylbenzene
Basic information
- CAS
74866-17-4- Standard SMILES
COc1ccc(Br)c(C)c1OC- InChIKey
JDIYVHQIOHSCQG-UHFFFAOYSA-N- Molecular formula
- C9H11BrO2
- Average molar mass
- 231.09 g/mol
- Monoisotopic mass
- 229.99424
Names & identifiers
- Preferred name
- 1-Bromo-3,4-dimethoxy-2-methylbenzene
- IUPAC
- 1-bromo-3,4-dimethoxy-2-methylbenzene
- English name
- 1-Bromo-3,4-dimethoxy-2-methylbenzene
- Molecular formula
- C9H11BrO2
- Molecular weight
- 231.09
Names & synonyms
1-bromo-3,4-dimethoxy-2-methylbenzene74866-17-4DTXSID90356548RefChem:228435DTXCID00307607MFCD014636906-Bromo-2,3-dimethoxytolueneSCHEMBL24310726-bromo-2,3-dimethoxy tolueneCS-M3412ZCA86617AKOS016004415
Show more names
4-bromo-1,2-dimethoxy-3-methylbenzeneBenzene, 1-bromo-3,4-dimethoxy-2-methyl-
DS-18412SY111798AMY22018BCP21771SBB0977081-Bromo-34-dimethoxy-2-methylbenzene1-bromo-3,4-dimethoxy-2-methyl-benzeneFT-07522
Database identifiers
- CAS
74866-17-4- PubChem CID
- 825971
- DTXSID
DTXSID90356548- Nikkaji
- J1.255.339K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 59 · 59-60 °C(Solv: methanol (67-56-1))
- Boiling point
- 252.9 · 252.9±35.0 °C(Predicted)
- Density
- 1.36 · 1.360±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- color
- White Crystalline
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-3-methylveratrole is an intermediate in the synthesis of carbazomycin A (C175830), is used in biological studies for antimalarial and antituberculosis activity which are isolated from Streptomyces.
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…