4,6-Dibromoisophthalic acid
Basic information
- CAS
24063-27-2- Standard SMILES
O=C(O)c1cc(C(=O)O)c(Br)cc1Br- InChIKey
UDCSURCKPULYEL-UHFFFAOYSA-N- Molecular formula
- C8H4Br2O4
- Average molar mass
- 323.92 g/mol
- Monoisotopic mass
- 321.84763
Names & identifiers
- Preferred name
- 4,6-Dibromoisophthalic acid
- IUPAC
- 4,6-dibromobenzene-1,3-dicarboxylic acid
- English name
- 4,6-Dibromoisophthalic acid
- Molecular formula
- C8H4Br2O4
- Molecular weight
- 323.92
Names & synonyms
4,6-dibromoisophthalic acid24063-27-21,3-benzenedicarboxylic acid, 4,6-dibromo-DTXSID40349162RefChem:285758DTXCID00300234InChI=1/C8H4Br2O4/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2H,(H,11,12)(H,13,144,6-dibromobenzene-1,3-dicarboxylic acidMFCD32641193SCHEMBL71307orb3216523UDCSURCKPULYEL-UHFFFAOYSA-N
Show more names
4,6-dibrometabenzenedimacetic acid
4,6-Dibromoisophthalic acid, 97%AKOS040768753BS-47764CS-0170070F72274F693708
Database identifiers
- CAS
24063-27-2- PubChem CID
- 643383
- DTXSID
DTXSID40349162- Nikkaji
- J88.228C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 250 · 250-254 °C
- Boiling point
- 444.9 · 444.9±45.0 °C(Predicted)
- Density
- 2.205 · 2.205±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 1.95 · 1.95±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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-P280-P301+P312-P302+P352-P305+P351+P338
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Related reactions
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Compound notes
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