3-Bromo-4,5-difluorobenzenamine

C₆H₄BrF₂NCAS 875664-41-8208.01 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄BrF₂N
Molar mass: 208.01 g/mol
Exact mass: 206.9495 Da
logP: 2.31Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled14.3% of notifiers
H302 Harmful if swallowed71.4% of notifiers
H312 Harmful in contact with skin71.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled71.4% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 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

875664-41-8

SMILES

Nc1cc(F)c(F)c(Br)c1

InChIKey

GYPOUGZGHDSUKH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzenamine, 3-bromo-4,5-difluoro-
3-Bromo-4,5-difluoroaniline

Work with 3-Bromo-4,5-difluorobenzenamine

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

3,4,5-Trifluorobenzenamine163733-96-867 % similar 1-Bromo-2,3,5-trifluorobenzene133739-70-557 % similar 1-Bromo-2,3,4,5-tetrafluorobenzene1074-91-556 % similar 3-Bromo-4-fluorobenzenamine656-64-455 % similar 4-Bromo-3-fluoroaniline656-65-555 % similar 3-Bromo-5-fluoro-4-methoxyaniline875664-44-155 % similar 6-Bromo-2,3,4-trifluorobenzenamine122375-82-053 % similar 1,5-Dibromo-2,4-difluorobenzene28342-75-846 % similar

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

Same formula

2-Bromo-3,4-difluoroaniline1092349-87-5 4-Bromo-2,5-difluoroaniline112279-60-4 4-Bromo-2,3-difluorobenzenamine112279-72-8 4-Bromo-3,5-difluoroaniline203302-95-8 2-Bromo-4,6-difluorobenzenamine444-14-4 5-Bromo-2,4-difluoroaniline452-92-6 4-Bromo-2,6-difluoroaniline67567-26-4

Elsewhere

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