2,3,5,6-Tetrafluoro-1,4-benzenediamine

C₆H₄F₄N₂CAS 1198-64-7180.11 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄F₄N₂
Molar mass: 180.11 g/mol
Exact mass: 180.0311 Da
Melting point: 143.5–145 °C
logP: 1.41Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

1198-64-7

SMILES

Nc1c(F)c(F)c(N)c(F)c1F

InChIKey

FVFYRXJKYAVFSB-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F4N2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

1,4-Benzenediamine, 2,3,5,6-tetrafluoro-
p-Phenylenediamine, 2,3,5,6-tetrafluoro-
1,4-Diaminotetrafluorobenzene
Tetrafluoro-p-phenylenediamine
2,3,5,6-Tetrafluoro-p-phenylenediamine
1,4-Diamino-2,3,5,6-tetrafluorobenzene
2,3,5,6-Tetrafluorophenylene-1,4-diamine
2,3,5,6-Tetrafluoro-1,4-diaminobenzene
Perfluorobenzene-1,4-diamine

Work with 2,3,5,6-Tetrafluoro-1,4-benzenediamine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentafluoroaniline771-60-892 % similar 4,4′-Diaminooctafluorobiphenyl1038-66-079 % similar 4-Aminononafluorobiphenyl969-25-573 % similar 4-Bromo-2,3,5,6-tetrafluoroaniline1998-66-969 % similar 2,3,5,6-Tetrafluoro-4-aminobenzotrifluoride651-83-258 % similar 4-Amino-2,3,5,6-tetrafluoropyridine1682-20-856 % similar 2,3,5,6-Tetrafluorobenzenamine700-17-456 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-6 (2,3,5,6-Tetrafluorophenyl)hydrazine653-11-2

Elsewhere

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