5-Bromo-2-fluorobenzonitrile

C₇H₃BrFNCAS 179897-89-3200.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃BrFN
Molar mass: 200.01 g/mol
Exact mass: 198.9433 Da
logP: 2.46Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed92% of notifiers
H312 Harmful in contact with skin92% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H332 Harmful if inhaled92% of notifiers
H335 May cause respiratory irritation96% of notifiers

Aggregated from 50 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

179897-89-3

SMILES

N#Cc1cc(Br)ccc1F

InChIKey

GYCNHFWRPJXTSB-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzonitrile, 5-bromo-2-fluoro-
3-Bromo-6-fluorobenzonitrile
3-Cyano-4-fluorobromobenzene
2-Fluoro-5-bromobenzonitrile

Work with 5-Bromo-2-fluorobenzonitrile

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

4-Bromophthalonitrile70484-01-464 % similar 2,5-Difluorobenzonitrile64248-64-260 % similar 5-Bromo-2-iodobenzonitrile121554-10-756 % similar 5-Bromo-2-methylbenzonitrile156001-51-356 % similar 2-Fluoro-5-iodobenzonitrile351003-36-656 % similar 2-Amino-5-bromobenzonitrile39263-32-656 % similar 5-Bromo-2-hydroxybenzonitrile40530-18-556 % similar 5-Amino-2-fluorobenzonitrile53312-81-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-fluorobenzonitrile105942-08-3 4-Bromo-3-fluorobenzonitrile133059-44-6 3-Bromo-5-fluorobenzonitrile179898-34-1 2-Bromo-4-fluorobenzonitrile36282-26-5 2-Bromo-3-fluorobenzonitrile425379-16-4 2-Bromo-5-fluorobenzonitrile57381-39-2 2-Bromo-6-fluorobenzonitrile79544-27-7 3-Bromo-4-fluorobenzonitrile79630-23-2

Elsewhere

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