4-Bromo-2-(trifluoromethoxy)iodobenzene

C₇H₃BrF₃IOCAS 175278-12-3366.90 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₃BrF₃IO
Molar mass: 366.90 g/mol
Exact mass: 365.8364 Da
logP: 3.95Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175278-12-3

SMILES

C1=CC(=C(C=C1Br)OC(F)(F)F)I

InChIKey

IGWVTCXEZVURNB-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF3IO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H

Weigh it out

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

Work with 4-Bromo-2-(trifluoromethoxy)iodobenzene

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-Iodo-2-(trifluoromethoxy)benzene175278-00-955 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-748 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-047 % similar 1,3-Dibromo-5-(trifluoromethoxy)benzene207226-31-144 % similar 3-Iodo-4-fluorobromobenzene116272-41-443 % similar 2-(Trifluoromethoxy)bromobenzene64115-88-443 % similar 3-Bromo-4-(trifluoromethoxy)aniline191602-54-740 % similar 3-Fluoro-4-(trifluoromethoxy)phenol177596-38-239 % similar

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

Elsewhere

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