2,3,5,6-Tetrafluorobenzenamine
Properties
- Molecular formula
- C6H3F4N
- Molar mass
- 165.09 g/mol
- Exact mass
- 165.0202 Da
- Melting point
- 31.5 °C
- Boiling point
- 158 °C
- logP
- 1.83Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed12.8% of notifiers
- H312 Harmful in contact with skin12.8% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled12.8% of notifiers
- H335 May cause respiratory irritation87.2% of notifiers
Aggregated from 47 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
700-17-4SMILES
Nc1c(F)c(F)cc(F)c1FInChIKey
SPSWJTZNOXMMMV-UHFFFAOYSA-NInChI
InChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzenamine, 2,3,5,6-tetrafluoro-
- Aniline, 2,3,5,6-tetrafluoro-
- 2,3,5,6-Tetrafluoroaniline
- NSC 88347
- 2,3,5,6-Tetrafluorophenylamine
Work with 2,3,5,6-Tetrafluorobenzenamine
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-Bromo-3,4,6-trifluoroaniline1481-21-660 % similar
2,3,6-Trifluoroaniline67815-56-959 % similar
Pentafluorobenzene363-72-458 % similar
2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-756 % similar
2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-155 % similar
3,4,5-Trifluorobenzenamine163733-96-855 % similar
6-Bromo-2,3,4-trifluorobenzenamine122375-82-054 % similar
3-Amino-2,4,5-trifluorobenzoic acid119385-80-753 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
3-Fluoro-4-(trifluoromethyl)pyridine113770-87-9
2-Fluoro-4-(trifluoromethyl)pyridine118078-66-3
2,3,4,6-Tetrafluorobenzenamine363-73-5
2,3,4,5-Tetrafluoroaniline5580-80-3
2-Fluoro-3-(trifluoromethyl)pyridine65753-52-8
2-Fluoro-5-(trifluoromethyl)pyridine69045-82-5
3-Fluoro-2-(trifluoromethyl)pyridine886510-21-0
2-Fluoro-6-(trifluoromethyl)pyridine94239-04-0