3-Bromo-4-fluorobenzenamine
Properties
- Molecular formula
- C6H5BrFN
- Molar mass
- 190.02 g/mol
- Exact mass
- 188.9589 Da
- Melting point
- 34 °C
- Boiling point
- 235 °C
- logP
- 2.17Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed10% of notifiers
- H302 Harmful if swallowed90% of notifiers
- H311 Toxic in contact with skin10% of notifiers
- H312 Harmful in contact with skin70% of notifiers
- H315 Causes skin irritation80% of notifiers
- H319 Causes serious eye irritation90% of notifiers
- H331 Toxic if inhaled10% of notifiers
- H332 Harmful if inhaled80% of notifiers
- H335 May cause respiratory irritation20% of notifiers
Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
656-64-4SMILES
Nc1ccc(F)c(Br)c1InChIKey
KOWPUNQBGWIERF-UHFFFAOYSA-NInChI
InChI=1S/C6H5BrFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzenamine, 3-bromo-4-fluoro-
- Aniline, 3-bromo-4-fluoro-
- 3-Bromo-4-fluoroaniline
- 3-Bromo-4-fluorophenylamine
Work with 3-Bromo-4-fluorobenzenamine
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
4-Bromo-3-fluoroaniline656-65-569 % similar
3,4-Difluoroaniline3863-11-460 % similar
3,4-Dibromobenzenamine615-55-460 % similar
2,4-Dibromo-1-fluorobenzene1435-53-656 % similar
1-Bromo-2,5-difluorobenzene399-94-056 % similar
4-Fluorobenzene-1,3-diamine6264-67-156 % similar
3-Bromo-4,5-difluorobenzenamine875664-41-855 % similar
1,5-Dibromo-2,4-difluorobenzene28342-75-854 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2-Bromo-4-fluoroaniline1003-98-1
2-Bromo-5-fluorobenzenamine1003-99-2
2-Bromo-3-fluoroaniline111721-75-6
4-Bromo-2-fluoro-3-methylpyridine128071-79-4
3-Bromo-5-fluoroaniline134168-97-1
3-Bromo-2-fluoro-5-methylpyridine17282-01-8
2-Bromo-6-fluoro-4-methylpyridine180608-37-1
5-Bromo-2-fluorobenzenamine2924-09-6