Basic information
- CAS
21702-84-1- Standard SMILES
COc1ccc(Br)cc1Br- InChIKey
XGXUGXPKRBQINS-UHFFFAOYSA-N- Molecular formula
- C7H6Br2O
- Average molar mass
- 265.93 g/mol
- Monoisotopic mass
- 263.87853901
Names & identifiers
- Preferred name
- 2,4-Dibromoanisole
- IUPAC
- 2,4-dibromo-1-methoxybenzene
- English name
- 2,4-DIBROMOANISOLE
- Molecular formula
- C7H6Br2O
- Molecular weight
- 265.93
Names & synonyms
2,4-DIBROMOANISOLE21702-84-1EINECS 244-536-5RefChem:443233244-536-52,4-Dibromo-1-methoxybenzeneBenzene, 2,4-dibromo-1-methoxy-MFCD000000792,4-dibromo-1-methoxy-benzeneAnisole, 2,4-dibromo-DTXSID2074827HMS551O15
Show more names
4,6-Dibromoanisole2,4-dibromophenyl ether2,4-dibromobenzyl ether2,4-Dibromoanisole, 98+%2,4-Dibromoanisole≥ 98% (GC)2,4-DibroMoanisole, 98% 50GR1,3-Dibromo-4-methoxybenzene
XGXUGXPKRBQINS-UHFFFAOYSA-STL3553072,4-dibromanisoleMaybridge1_003667FT-0609986KEL2VE23DCSCHEMBL8119432,4-dibromophenyl methyl ether
Database identifiers
- CAS
21702-84-1- PubChem CID
- 27011
- DTXSID
DTXSID2074827- UNII
- KEL2VE23DC
- EC Number
- 244-536-5
- Nikkaji
- J32.126E
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
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP3.75
Physicochemical properties
- Melting point
- 61 · 61-63 °C(lit.)
- Boiling point
- 101 · 101-106 °C1 mm Hg(lit.)
- Density
- 1.8014 · 1.8014 (rough estimate)
- refractive index
- 1.503 · 1.5030 (estimate)
- Flash point
- 82 · 82-88°C/0.3mm
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Crystalline Powder
- color
- Light beige
- BRN
- 2045290 · 2045290
- Henry's Law Constant
- 8.1 · 8.1×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
- InChI
- InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (71.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 145 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (71.7%)
Safety data
- wgk
- 3
- hs_code
- 29093090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2,4-Dibromo-1-methoxybenzene is a brominated flame retardant.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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