4-(Trifluoromethylthio)bromobenzene

C₇H₄BrF₃SCAS 333-47-1257.07 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfide

Properties

Molecular formula: C₇H₄BrF₃S
Molar mass: 257.07 g/mol
Exact mass: 255.9169 Da
logP: 4.06Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 47 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

333-47-1

SMILES

C1=CC(=CC=C1SC(F)(F)F)Br

InChIKey

CQQBVMXLTBXNLB-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

Weigh it out

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

Work with 4-(Trifluoromethylthio)bromobenzene

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-(Trifluoromethylthio)phenol461-84-762 % similar [(Trifluoromethyl)thio]benzene456-56-456 % similar 4-[(Trifluoromethyl)thio]benzenamine372-16-756 % similar 1-Chloro-4-[(trifluoromethyl)thio]benzene407-16-956 % similar 1-(Bromomethyl)-4-[(trifluoromethyl)thio]benzene21101-63-355 % similar 4-(Trifluoromethylthio)benzylamine128273-56-350 % similar 4-(Trifluoromethylthio)benzonitrile332-26-350 % similar 4-[(Trifluoromethyl)sulfanyl]benzaldehyde4021-50-550 % similar

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

Same formula

1-Bromo-3-[(trifluoromethyl)thio]benzene2252-45-1

Elsewhere

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