2,3,4-Trifluorochlorobenzene

C₆H₂ClF₃CAS 36556-42-0166.53 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₂ClF₃
Molar mass: 166.53 g/mol
Exact mass: 165.9797 Da
logP: 2.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor14.3% of notifiers
H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

36556-42-0

SMILES

C1=CC(=C(C(=C1F)F)F)Cl

InChIKey

QEIDAZALPGAFIS-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H

Weigh it out

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

Names and synonyms

1 names

Benzene, 1-chloro-2,3,4-trifluoro-

Work with 2,3,4-Trifluorochlorobenzene

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

1,3-Dichloro-2,4-difluorobenzene36556-37-367 % similar 1,2,3,4-Tetrafluorobenzene551-62-263 % similar 3-Chloro-2,6-difluorobenzaldehyde190011-87-155 % similar 3-Chloro-2,6-difluorobenzylamine261762-46-355 % similar 2-(Bromomethyl)-4-chloro-1,3-difluorobenzene261762-47-455 % similar 6-Chloro-2,3-difluorobenzaldehyde797791-33-455 % similar 3-Chloro-2,6-difluorobenzonitrile86225-73-255 % similar 1,3-Dichloro-2-fluorobenzene2268-05-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2,4,6-trifluorobenzene2106-40-3

Elsewhere

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