4-Bromo-1-iodo-2-(trifluoromethyl)benzene

C₇H₃BrF₃ICAS 364-12-5350.90 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃BrF₃I
Molar mass: 350.90 g/mol
Exact mass: 349.8415 Da
Melting point: 77–78 °C
logP: 4.07Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

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

364-12-5

SMILES

FC(F)(F)c1cc(Br)ccc1I

InChIKey

FTIZUXGKTNJZEG-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF3I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzene, 4-bromo-1-iodo-2-(trifluoromethyl)-
Toluene, 5-bromo-α,α,α-trifluoro-2-iodo-
2-Trifluoromethyl-4-bromoiodobenzene
5-Bromo-2-iodobenzotrifluoride

Work with 4-Bromo-1-iodo-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-Methyl-3-(trifluoromethyl)bromobenzene86845-27-461 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-260 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-358 % similar 4-Bromo-2-(trifluoromethyl)phenol50824-04-958 % similar 4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-156 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-256 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-356 % similar 4-Bromo-2-fluorobenzotrifluoride142808-15-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-iodo-4-(trifluoromethyl)benzene640280-28-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook