4-Bromo-2,3,5,6-tetrafluoroaniline

C₆H₂BrF₄NCAS 1998-66-9243.99 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₂BrF₄N
Molar mass: 243.99 g/mol
Exact mass: 242.9307 Da
logP: 2.59Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 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

1998-66-9

SMILES

C1(=C(C(=C(C(=C1F)F)Br)F)F)N

InChIKey

LZUYSMHNMFCPBF-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrF4N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

Weigh it out

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

Work with 4-Bromo-2,3,5,6-tetrafluoroaniline

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

2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-769 % similar Pentafluoroaniline771-60-865 % similar 1,4-Dibromo-2,3,5,6-tetrafluorobenzene344-03-663 % similar 2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-661 % similar Bromopentafluorobenzene344-04-759 % similar 4,4′-Diaminooctafluorobiphenyl1038-66-058 % similar 1,3-Dibromo-2,4,5,6-tetrafluorobenzene1559-87-156 % similar 4-Aminononafluorobiphenyl969-25-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-2-fluoro-5-(trifluoromethyl)pyridine1031929-01-7 2-Bromo-3-fluoro-5-(trifluoromethyl)pyridine89402-29-9

Elsewhere

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