3-Fluoro-4-methoxybenzyl bromide

C8H8BrFOCAS 331-61-3219.05 g/mol

Open in Covalent MOL file
OBrF
Alkyl halideAryl halideEther

Properties

Molecular formula
C8H8BrFO
Molar mass
219.05 g/mol
Exact mass
217.9743 Da
logP
2.73Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, P501

Identifiers

CAS number
331-61-3
SMILES
COC1=C(C=C(C=C1)CBr)F
InChIKey
KLWYYWVSFYRPLM-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrFO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5H2,1H3

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Names and synonyms

1 names
  • 4-(Bromomethyl)-2-fluoro-1-methoxybenzene

Work with 3-Fluoro-4-methoxybenzyl 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-Fluoro-4-methoxybenzyl chloride351-52-065 % similar 3,4-Difluorobenzyl bromide85118-01-063 % similar 4-(Bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene261951-89-759 % similar 3-Fluoro-4-methoxyphenylacetonitrile404-90-059 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-256 % similar 3-Fluoro-4-methylbenzyl bromide145075-44-156 % similar 4-Bromo-2-fluoroanisole2357-52-056 % similar 2,4-Difluoroanisole452-10-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Fluoro-2-methoxybenzyl bromide 97700381-18-6

Elsewhere

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