2,6-Dibromophenol
Properties
- Molecular formula
- C6H4Br2O
- Molar mass
- 251.91 g/mol
- Exact mass
- 249.8629 Da
- Melting point
- 56.5 °C
- Boiling point
- 255 °C
- pKa
- 6.67
- logP
- 2.92Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed96% of notifiers
- H312 Harmful in contact with skin86% of notifiers
- H315 Causes skin irritation16% of notifiers
- H319 Causes serious eye irritation16% of notifiers
- H332 Harmful if inhaled86% of notifiers
- H335 May cause respiratory irritation14% 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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
608-33-3SMILES
Oc1c(Br)cccc1BrInChIKey
SSIZLKDLDKIHEV-UHFFFAOYSA-NInChI
InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Phenol, 2,6-dibromo-
- NSC 6214
Work with 2,6-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
3-Bromobenzene-1,2-diol14381-51-270 % similar
2-Bromo-6-methylphenol13319-71-664 % similar
2-Bromo-6-fluorophenol2040-89-364 % similar
2-Amino-6-bromophenol28165-50-664 % similar
2,6-Dibromo-1,5-naphthalenediol84-59-360 % similar
3-Bromo-2-hydroxybenzaldehyde1829-34-156 % similar
2,4,6-Tribromophenol118-79-652 % similar
2-Bromo-1-naphthol771-15-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.