Basic information
- CAS
28514-45-6- Standard SMILES
Oc1cccc(Br)c1Br- InChIKey
FNAKEOXYWBWIRT-UHFFFAOYSA-N- Molecular formula
- C6H4Br2O
- Average molar mass
- 251.9 g/mol
- Monoisotopic mass
- 249.86289
Names & identifiers
- Preferred name
- 2,3-Dibromophenol
- IUPAC
- 2,3-dibromophenol
- English name
- 2,3-Dibromophenol
- Molecular formula
- C6H4Br2O
- Molecular weight
- 251.9
Names & synonyms
2,3-DIBROMOPHENOL57383-80-9DTXSID501334116RefChem:1059326DTXCID101379332DIBROMOPHENOLMFCD0816647428514-45-6dibromo-phenol2,3-Dibromophenol, 95%SCHEMBL386016AKOS024168482
Show more names
2,3-DIBROMOANISOLPhenol, 2,3-dibromo-2,3-Dibromophenol@100 μg/mL in Toluene
AS-33033Q209166FT-0666513Propanoicacid,2-[4-(4-methylphenoxy)phenoxy]-A856520SCHEMBL1043235SCHEMBL9732644SCHEMBL9732647
Database identifiers
- CAS
28514-45-6、57383-80-9- PubChem CID
- 34264
- DTXSID
DTXSID501334116- Nikkaji
- J801.783B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97
Physicochemical properties
- Melting point
- 68 · 68-69 °C
- Boiling point
- 252.1 · 252.1±20.0 °C(Predicted)
- Density
- 2.095 · 2.095±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.47 · 7.47±0.10(Predicted)
- color
- Off-White
- InChI
- InChI=1S/C6H4Br2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
- InChIKey
- FNAKEOXYWBWIRT-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC(Br)=C1Br
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 305 · P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesFundamental starting material for organic synthesis. Metabolite of dibromobenzene in urine of rabbit.
UsesFundamental starting material for organic synthesis.Metabolite of dibromobenzene in urine of rabbit.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
7 records
Compound notes
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