(2-Bromo-1,1-difluoroethyl)benzene

C₈H₇BrF₂CAS 108661-89-8221.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇BrF₂
Molar mass: 221.04 g/mol
Exact mass: 219.9699 Da
logP: 3.17Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

108661-89-8

SMILES

C1=CC=C(C=C1)C(CBr)(F)F

InChIKey

MOAOYTRHHQMNAF-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrF2/c9-6-8(10,11)7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

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

Work with (2-Bromo-1,1-difluoroethyl)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

Trifluorotoluene98-08-844 % similar 1,1-Diphenylcyclopropane3282-18-638 % similar Trityl bromide596-43-038 % similar Tetraphenylmethane630-76-238 % similar (1-Chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene16878-50-537 % similar α,α-Bis(trifluoromethyl)benzenemethanol718-64-937 % similar 4-Bromo-2,2-diphenylbutyronitrile39186-58-835 % similar 3-(Trifluoromethyl)benzyl bromide402-23-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-(1,1-difluoroethyl)benzene1000994-95-5

Elsewhere

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