3-Fluorophenethyl bromide

C₈H₈BrFCAS 25017-13-4203.05 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₈BrF
Molar mass: 203.05 g/mol
Exact mass: 201.9793 Da
logP: 2.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H302 Harmful if swallowed60% of notifiers
H311 Toxic in contact with skin20% of notifiers
H312 Harmful in contact with skin40% of notifiers
H315 Causes skin irritation40% of notifiers
H319 Causes serious eye irritation60% of notifiers
H331 Toxic if inhaled20% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation40% of notifiers
H400 Very toxic to aquatic life20% of notifiers
H410 Very toxic to aquatic life with long lasting effects20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P273, 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, P391, P403+P233, P405, P501

Identifiers

CAS number

25017-13-4

SMILES

C1=CC(=CC(=C1)F)CCBr

InChIKey

GLVSPVSJMYQIPJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrF/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2

Weigh it out

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

Names and synonyms

1 names

1-(2-Bromoethyl)-3-fluorobenzene

Work with 3-Fluorophenethyl bromide

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-Fluorobenzyl bromide456-41-763 % similar 3-Fluorophenethylamine404-70-659 % similar 3-Fluorophenethyl alcohol52059-53-759 % similar 2-Phenylethyl bromide103-63-956 % similar 3-Fluorobenzylamine100-82-352 % similar 3-Fluorobenzyl chloride456-42-852 % similar 3-Fluorobenzyl alcohol456-47-352 % similar 3-(3-Fluorophenyl)propionic acid458-45-749 % similar

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

Same formula

3-Fluoro-4-methylbenzyl bromide145075-44-1 2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-6 2-Fluoro-3-methylbenzyl bromide151412-12-3 2-(Bromomethyl)-4-fluoro-1-methylbenzene261951-71-7 1-(2-Bromoethyl)-4-fluorobenzene332-42-3 1-Bromo-4-fluoro-2,3-dimethylbenzene52548-00-2 2-Fluorophenethyl bromide91319-54-9

Elsewhere

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