1,2-Dichloro-3-(trifluoromethyl)benzene

C₇H₃Cl₂F₃CAS 54773-19-2215.00 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

H227 Combustible liquid25% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed25% of notifiers
H314 Causes severe skin burns and eye damage75% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers
H412 Harmful to aquatic life with long lasting effects25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

54773-19-2

SMILES

FC(F)(F)c1cccc(Cl)c1Cl

InChIKey

BJYHBJUWZMHGGQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzene, 1,2-dichloro-3-(trifluoromethyl)-
2,3-Dichlorobenzotrifluoride
2,3-Dichloro-α,α,α-trifluorotoluene

Work with 1,2-Dichloro-3-(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

2-Chlorobenzotrifluoride88-16-468 % similar 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-661 % similar 2-Chloro-3-(trifluoromethyl)phenol138377-34-159 % similar 2-Bromo-1-chloro-3-(trifluoromethyl)benzene384-16-759 % similar 2-Chloro-6-(trifluoromethyl)benzenamine433-94-359 % similar 2-Chloro-3-(trifluoromethyl)aniline62476-58-859 % similar 1,2-Dichloro-3-methyl-4-(trifluoromethyl)benzene115571-59-055 % similar 2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-653 % 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 1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-5

Elsewhere

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