4-(Bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene

C9H8BrF3OCAS 261951-89-7269.06 g/mol

Open in Covalent MOL file
OBrFFF
Alkyl halideEther

Properties

Molecular formula
C9H8BrF3O
Molar mass
269.06 g/mol
Exact mass
267.9711 Da
logP
3.61Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
261951-89-7
SMILES
COc1ccc(CBr)cc1C(F)(F)F
InChIKey
FZICFAROPYFJMF-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BrF3O/c1-14-8-3-2-6(5-10)4-7(8)9(11,12)13/h2-4H,5H2,1H3

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Names and synonyms

2 names
  • Benzene, 4-(bromomethyl)-1-methoxy-2-(trifluoromethyl)-
  • 4-Methoxy-3-(trifluoromethyl)benzyl bromide

Work with 4-(Bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene

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-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-059 % similar 3-Fluoro-4-methoxybenzyl bromide331-61-359 % similar 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-157 % similar 4-Chloro-3-(trifluoromethyl)benzyl bromide261763-23-955 % similar 5-Amino-2-methoxybenzotrifluoride393-15-755 % similar 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene213203-65-753 % similar 3-Trifluoromethyl-4-methoxy-phenylboronic acid149507-36-851 % similar 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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