4-Bromo-3,5-dichlorobenzotrifluoride

C₇H₂BrCl₂F₃CAS 118754-53-3293.89 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₂BrCl₂F₃
Molar mass: 293.89 g/mol
Exact mass: 291.8669 Da
logP: 4.77Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.6% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation13.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life86.7% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

118754-53-3

SMILES

C1=C(C=C(C(=C1Cl)Br)Cl)C(F)(F)F

InChIKey

IQHSSYROJYPFDV-UHFFFAOYSA-N

InChI

InChI=1S/C7H2BrCl2F3/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H

Weigh it out

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

Work with 4-Bromo-3,5-dichlorobenzotrifluoride

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

3,4,5-Trichlorobenzotrifluoride50594-82-662 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-759 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-857 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-857 % similar 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-057 % similar 2-Bromo-6-chloro-4-(trifluoromethyl)aniline109919-26-856 % similar [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine86398-94-955 % similar 2-Bromo-3-chloro-5-(trifluoromethyl)pyridine75806-84-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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