3,4-Dichlorobenzotrifluoride

C₇H₃Cl₂F₃CAS 328-84-7215.00 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
Density: 1.48 g/mL
Melting point: −13–12 °C
Boiling point: 173–174 °C
Flash point: 65 °C
logP: 4.01Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed12.2% of notifiers
H315 Causes skin irritation27.2% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation24.4% of notifiers
H411 Toxic to aquatic life with long lasting effects70.6% of notifiers

Aggregated from 180 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, P391, P403+P233, P405, P501

Identifiers

CAS number

328-84-7

SMILES

FC(F)(F)c1ccc(Cl)c(Cl)c1

InChIKey

XILPLWOGHPSJBK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Benzene, 1,2-dichloro-4-(trifluoromethyl)-
Toluene, 3,4-dichloro-α,α,α-trifluoro-
1,2-Dichloro-4-(trifluoromethyl)benzene
3,4-Dichloro-α,α,α-trifluorotoluene
(3,4-Dichlorophenyl)trifluoromethane
3,4-Dichloro(trifluoromethyl)benzene
3,4-Dichloro-1-(trifluoromethyl)benzene
1-(Trifluoromethyl)-3,4-dichlorobenzene
4-(Trifluoromethyl)-1,2-dichlorobenzene
Oxsol 1000

Work with 3,4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Bis(trifluoromethyl)chlorobenzene327-76-469 % similar 4-Chloro-3-fluorobenzotrifluoride32137-20-567 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-667 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-664 % similar 3-Chloro-4-iodobenzotrifluoride141738-80-964 % similar 3-Chloro-4-hydroxybenzotrifluoride35852-58-564 % similar 2-Chloro-4-trifluoromethylaniline39885-50-264 % similar 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-064 % 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 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-2 1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-5

Elsewhere

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