2-Bromo-1,3-dimethoxybenzene
Basic information
- CAS
16932-45-9- Standard SMILES
COc1cccc(OC)c1Br- InChIKey
VHVYSMMZHORFKU-UHFFFAOYSA-N- Molecular formula
- C8H9BrO2
- Average molar mass
- 217.06 g/mol
- Monoisotopic mass
- 215.97859163
Names & identifiers
- Preferred name
- 2-Bromo-1,3-dimethoxybenzene
- IUPAC
- 2-bromo-1,3-dimethoxybenzene
- English name
- 1-Bromo-2,6-dimethoxybenzene
- Molecular formula
- C8H9BrO2
- Molecular weight
- 217.06
Names & synonyms
2-Bromo-1,3-dimethoxybenzene16932-45-9DTXSID00346455RefChem:85611DTXCID30297527679-556-7VHVYSMMZHORFKU-UHFFFAOYSA-N1-Bromo-2,6-dimethoxybenzene1,3-DIMETHOXY-2-BROMOBENZENEMFCD077801772,6-dimethoxybromobenzeneSCHEMBL1501174
Show more names
2-BROMO-1,3-DIMETHOXY-BENZENEBenzene, 2-bromo-1,3-dimethoxy-2-Bromo-1,3-dimethoxybenzene >2-Bromo-3-methoxyanisole
AKOS015889471AC-27920SY040805B3488EN300-111574O10672Z12691432592-bromo-3-methoxyanisole
Database identifiers
- CAS
16932-45-9- PubChem CID
- 612296
- DTXSID
DTXSID00346455- EC Number
- 679-556-7
- Nikkaji
- J339.129I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- 91 · 91-94°C
- Boiling point
- 250 ℃ · 250℃
- Density
- 1.412 · 1.412
- Flash point
- 106 ℃ · 106℃
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- White to Orange to Green
- Water Solubility
- Insoluble in water.
- InChI
- InChI=1S/C8H9BrO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3
- InChIKey
- VHVYSMMZHORFKU-UHFFFAOYSA-N
- SMILES
- C1(OC)=CC=CC(OC)=C1Br
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Safety data
- wgk
- 3
- hs_code
- 2909.30.6000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H335-H315-H319-H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Bromo-1,3-dimethoxybenzene is used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
18 records
Compound notes
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