2,4,6-Tribromoaniline
Properties
- Molecular formula
- C6H4Br3N
- Molar mass
- 329.82 g/mol
- Exact mass
- 326.7894 Da
- Density
- 2.35 g/mL
- Melting point
- 120–122 °C
- Boiling point
- 300 °C
- logP
- 3.56Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed71.4% of notifiers
- H302 Harmful if swallowed10.7% of notifiers
- H311 Toxic in contact with skin71.4% of notifiers
- H315 Causes skin irritation78.6% of notifiers
- H318 Causes serious eye damage69.6% of notifiers
- H319 Causes serious eye irritation10.7% of notifiers
- H331 Toxic if inhaled71.4% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure69.6% of notifiers
Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
147-82-0SMILES
Nc1c(Br)cc(Br)cc1BrInChIKey
GVPODVKBTHCGFU-UHFFFAOYSA-NInChI
InChI=1S/C6H4Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzenamine, 2,4,6-tribromo-
- Aniline, 2,4,6-tribromo-
- 2,4,6-Tribromobenzenamine
- Sym-Tribromoaniline
- NSC 2216
- 2,4,6-Tribromo-phenylamine
Work with 2,4,6-Tribromoaniline
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
2,4-Dibromo-6-fluoroaniline141474-37-567 % similar
2,4-Dibromo-6-chloroaniline874-18-067 % similar
2-Amino-3,5-dibromobenzenemethanol50739-76-959 % similar
2-Amino-3,5-dibromobenzaldehyde50910-55-959 % similar
2-Amino-3,5-dibromobenzonitrile68385-95-559 % similar
2-Amino-3,5-dibromobenzotrifluoride71757-14-759 % similar
2,6-Dibromo-4-fluoroaniline344-18-357 % similar
2,6-Dibromo-4-methylaniline6968-24-757 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.