1,2,3-Trifluorobenzene

C₆H₃F₃CAS 1489-53-8132.09 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₃F₃
Molar mass: 132.09 g/mol
Exact mass: 132.0187 Da
logP: 2.10Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor92.3% of notifiers
H315 Causes skin irritation90.4% of notifiers
H319 Causes serious eye irritation92.3% of notifiers
H335 May cause respiratory irritation90.4% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1489-53-8

SMILES

C1=CC(=C(C(=C1)F)F)F

InChIKey

AJKNNUJQFALRIK-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F3/c7-4-2-1-3-5(8)6(4)9/h1-3H

Weigh it out

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

Work with 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

1-Bromo-2,3-difluorobenzene38573-88-565 % similar 1,2,3,4-Tetrafluorobenzene551-62-263 % similar 1,2-Difluoro-3-methylbenzene3828-49-762 % similar 2,3-Difluoroaniline4519-40-862 % similar 2,3-Difluorophenol6418-38-862 % similar 2,3-Difluorobenzyl bromide113211-94-257 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-557 % similar 1,2-Difluorobenzene367-11-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,4-Trifluorobenzene367-23-7 1,3,5-Trifluorobenzene372-38-3

Elsewhere

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