1-Bromo-4-(1,1-difluoroethyl)benzene

C₈H₇BrF₂CAS 1000994-95-5221.04 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₇BrF₂
Molar mass: 221.04 g/mol
Exact mass: 219.9699 Da
logP: 3.56Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

1000994-95-5

SMILES

CC(C1=CC=C(C=C1)Br)(F)F

InChIKey

QXIBKCFAFRHORF-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrF2/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3

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

Names and synonyms

1 names

Benzene, 1-bromo-4-(1,1-difluoroethyl)-

Work with 1-Bromo-4-(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

1-Bromo-4-tert-butylbenzene3972-65-456 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-756 % similar 2-(4-Bromophenyl)propan-2-ol2077-19-256 % similar Tetrakis(4-bromophenyl)methane105309-59-950 % similar 4-Bromo-4'-(tert-butyl)biphenyl162258-89-150 % similar 2-(4-Bromophenyl)-2-methylpropanenitrile101184-73-045 % similar 1,4-Dibromobenzene106-37-643 % similar 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Bromo-1,1-difluoroethyl)benzene108661-89-8

Elsewhere

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