2,4-Dibromophenol
Properties
- Molecular formula
- C6H4Br2O
- Molar mass
- 251.91 g/mol
- Exact mass
- 249.8629 Da
- Density
- 2.07 g/mL (at 20 °C)
- Melting point
- 38 °C
- Boiling point
- 238.5 °C
- pKa
- 7.79
- Flash point
- 112.8 °C (closed cup)
- logP
- 2.92Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H300 Fatal if swallowed92% of notifiers
- H315 Causes skin irritation94% of notifiers
- H319 Causes serious eye irritation94% of notifiers
- H335 May cause respiratory irritation90% of notifiers
- H412 Harmful to aquatic life with long lasting effects14% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
615-58-7SMILES
Oc1ccc(Br)cc1BrInChIKey
FAXWFCTVSHEODL-UHFFFAOYSA-NInChI
InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Phenol, 2,4-dibromo-
- NSC 5723
- NSC 6213
Work with 2,4-Dibromophenol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Bromo-1,4-benzenediol583-69-767 % similar
4-Bromocatechol17345-77-665 % similar
4-Bromo-2-chlorophenol3964-56-558 % similar
1,2,4-Tribromobenzene615-54-357 % similar
4-Amino-2-bromophenol16750-67-756 % similar
4-Bromo-2-iodophenol207115-22-856 % similar
4-Bromo-2-fluorophenol2105-94-456 % similar
4-Bromo-2-methylphenol2362-12-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.