4-Chloro-3-(trifluoromethyl)anisole

C₈H₆ClF₃OCAS 400-73-7210.58 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₆ClF₃O
Molar mass: 210.58 g/mol
Exact mass: 210.0059 Da
logP: 3.37Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

400-73-7

SMILES

COC1=CC(=C(C=C1)Cl)C(F)(F)F

InChIKey

HUFKNQCAJLSTLH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3

Weigh it out

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

Work with 4-Chloro-3-(trifluoromethyl)anisole

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

4-Fluoro-3-(trifluoromethyl)anisole127271-65-262 % similar 4-Methoxy-2-(trifluoromethyl)aniline53903-49-462 % similar 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene400-72-660 % similar 1,2-Dichloro-4-methoxybenzene36404-30-558 % similar 1-Chloro-2-fluoro-4-methoxybenzene501-29-156 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-155 % similar 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-655 % similar 1-Chloro-4-methoxy-2-methylbenzene13334-71-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-6 [5-Chloro-2-(trifluoromethyl)phenyl]methanol261763-21-7 2-Chloro-4-(trifluoromethyl)benzenemethanol56456-51-0 2-Chloro-5-(trifluoromethyl)benzyl alcohol64372-62-9 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-9 4-(Trifluoromethoxy)benzyl chloride65796-00-1

Elsewhere

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