2-Bromo-4,6-difluoroaniline hydrobromide

C₆H₅Br₂F₂NCAS 101471-20-9288.92 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅Br₂F₂N
Molar mass: 288.92 g/mol
Exact mass: 286.8757 Da
logP: 2.89Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

101471-20-9

SMILES

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

InChIKey

OYZFQVSHRSBJIJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrF2N.BrH/c7-4-1-3(8)2-5(9)6(4)10;/h1-2H,10H2;1H

Weigh it out

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Work with 2-Bromo-4,6-difluoroaniline hydrobromide

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-Bromo-4,6-difluorobenzenamine444-14-488 % similar 2,6-Dibromo-4-fluoroaniline344-18-367 % similar 2,4,6-Trifluorobenzenamine363-81-559 % similar 2,4-Dibromo-6-fluoroaniline141474-37-558 % similar 2-Bromo-4-chloro-6-fluorobenzenamine195191-47-055 % similar 2-Bromo-6-chloro-4-fluorobenzenamine201849-14-155 % similar 2-Bromo-4-fluoro-6-methylbenzenamine202865-77-855 % similar 1,2-Dibromo-3,5-difluorobenzene139215-43-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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