1,3-Dichloro-5-(trifluoromethyl)benzene

C₇H₃Cl₂F₃CAS 54773-20-5215.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃Cl₂F₃
Molar mass: 215.00 g/mol
Exact mass: 213.9564 Da
logP: 4.01Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

54773-20-5

SMILES

FC(F)(F)c1cc(Cl)cc(Cl)c1

InChIKey

PCMPDUPKYRRIIP-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H

Weigh it out

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

Names and synonyms

3 names

Benzene, 1,3-dichloro-5-(trifluoromethyl)-
3,5-Dichlorobenzotrifluoride
3,5-Dichloro-α,α,α-trifluorotoluene

Work with 1,3-Dichloro-5-(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

1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-389 % similar 3-Chloro-5-hydroxybenzotrifluoride570391-18-368 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-868 % similar 1-Bromo-3-chloro-5-(trifluoromethyl)benzene928783-85-168 % similar 3-Chlorobenzotrifluoride98-15-763 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-758 % similar 3-Chloro-5-(trifluoromethyl)pyridine85148-26-158 % similar Parachlorobenzotrifluoride98-56-657 % similar

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

Same formula

2,6-Dichloro-benzotrifluoride104359-35-5 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-3 2,4-Dichlorobenzotrifluoride320-60-5 3,4-Dichlorobenzotrifluoride328-84-7 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-2

Elsewhere

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