1,3,5-Tribromobenzene
Properties
- Molecular formula
- C6H3Br3
- Molar mass
- 314.80 g/mol
- Exact mass
- 311.7785 Da
- Melting point
- 122.8 °C
- Boiling point
- 271 °C
- logP
- 3.97Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation17% of notifiers
- H319 Causes serious eye irritation17% of notifiers
- H335 May cause respiratory irritation15.1% of notifiers
- H413 May cause long lasting harmful effects to aquatic life75.5% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
626-39-1SMILES
Brc1cc(Br)cc(Br)c1InChIKey
YWDUZLFWHVQCHY-UHFFFAOYSA-NInChI
InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 1,3,5-tribromo-
- NSC 62439
Reactions
Work with 1,3,5-Tribromobenzene
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
1,3-Dibromo-5-fluorobenzene1435-51-460 % similar
3,5-Dibromotoluene1611-92-360 % similar
1,3-Dibromo-5-iodobenzene19752-57-960 % similar
3,5-Dibromophenol626-41-560 % similar
1,3-Dibromobenzene108-36-157 % similar
3,5-Dibromopyridine625-92-353 % similar
2,7-Dibromopyrene102587-98-450 % similar
1,4-Dibromobenzene106-37-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds