5-Bromo-1,2,3-trifluorobenzene

C₆H₂BrF₃CAS 138526-69-9210.98 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂BrF₃
Molar mass: 210.98 g/mol
Exact mass: 209.9292 Da
logP: 2.87Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vaporFlammable liquids
H315 Causes skin irritationSkin corrosion/irritation
H318 Causes serious eye damageSerious eye damage/eye irritation
H351 Suspected of causing cancerCarcinogenicity
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 602-092-00-3), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P318, P321, P332+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

138526-69-9

SMILES

Fc1cc(Br)cc(F)c1F

InChIKey

HKJCELUUIFFSIN-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H

Weigh it out

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

Names and synonyms

7 names

Benzene, 5-bromo-1,2,3-trifluoro-
3,4,5-Trifluoro-1-bromobenzene
1-Bromo-3,4,5-trifluorobenzene
3,4,5-Trifluorobromobenzene
1,2,3-Trifluoro-5-bromobenzene
3,4,5-Trifluorophenyl bromide
4-Bromo-1,2,6-trifluorobenzene

Work with 5-Bromo-1,2,3-trifluorobenzene

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

5-Bromo-2,3-difluorophenol186590-26-167 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-262 % similar 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-059 % similar 5-Bromo-2,3-difluoro-benzaldehyde633327-22-759 % similar 1,2,5-Tribromo-3-fluorobenzene2839-37-458 % similar 4-Bromo-2,6-difluorophenol104197-13-957 % similar 5-Bromo-1,3-difluoro-2-iodobenzene160976-02-357 % similar 5-Bromo-2-chloro-1,3-difluorobenzene176673-72-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2,3,5-trifluorobenzene133739-70-5 1-Bromo-2,3,4-trifluorobenzene176317-02-5 2-Bromo-1,3,4-trifluorobenzene176793-04-7 2-Bromo-1,3,5-trifluorobenzene2367-76-2 1-Bromo-2,4,5-trifluorobenzene327-52-6

Elsewhere

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