1,2,4-Tribromobenzene
Properties
- Molecular formula
- C6H3Br3
- Molar mass
- 314.80 g/mol
- Exact mass
- 311.7785 Da
- Melting point
- 44.5 °C
- Boiling point
- 275 °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 irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation88.6% of notifiers
- H400 Very toxic to aquatic life88.6% of notifiers
- H410 Very toxic to aquatic life with long lasting effects88.6% of notifiers
Aggregated from 44 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, P391, P403+P233, P405, P501
Identifiers
CAS number
615-54-3SMILES
Brc1ccc(Br)c(Br)c1InChIKey
FWAJPSIPOULHHH-UHFFFAOYSA-NInChI
InChI=1S/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 1,2,4-tribromo-
- NSC 62440
Work with 1,2,4-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
1,4-Dibromo-2-fluorobenzene1435-52-557 % similar
2,4-Dibromo-1-fluorobenzene1435-53-657 % similar
2,4-Dibromo-1-methylbenzene31543-75-657 % similar
1,4-Dibromo-2-chlorobenzene3460-24-057 % similar
2,5-Dibromoaniline3638-73-157 % similar
2,4-Dibromoaniline615-57-657 % similar
2,4-Dibromophenol615-58-757 % similar
2,5-Dibromotoluene615-59-857 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.