4-Bromo-5-fluoro-2-methoxyaniline

C₇H₇BrFNOCAS 330794-03-1220.04 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₇BrFNO
Molar mass: 220.04 g/mol
Exact mass: 218.9695 Da
logP: 2.18Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

330794-03-1

SMILES

COC1=CC(=C(C=C1N)F)Br

InChIKey

WOFOKKKWMDHLEX-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrFNO/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3H,10H2,1H3

Weigh it out

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

Work with 4-Bromo-5-fluoro-2-methoxyaniline

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

1-Bromo-2,5-difluoro-4-methoxybenzene202865-60-965 % similar 1-Bromo-4-chloro-2-fluoro-5-methoxy-benzene146447-18-962 % similar 4-Bromo-2,5-difluoroaniline112279-60-460 % similar 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-556 % similar 5-Bromo-2,4-difluoroaniline452-92-655 % similar 5-Bromo-4-fluoro-2-methylaniline627871-16-353 % similar 1,4-Dibromo-2,5-dimethoxybenzene2674-34-252 % similar 1,2-Dibromo-4,5-dimethoxybenzene37895-73-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-5-fluoro-4-methoxyaniline875664-44-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook