2-(Trifluoromethoxy)chlorobenzene

C₇H₄ClF₃OCAS 450-96-4196.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₄ClF₃O
Molar mass: 196.55 g/mol
Exact mass: 195.9903 Da
logP: 3.24Crippen 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 irritation50% of notifiers

Aggregated from 2 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

450-96-4

SMILES

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

InChIKey

NZRLCYJRHKUVCV-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

1 names

1-Chloro-2-(trifluoromethoxy)benzene

Work with 2-(Trifluoromethoxy)chlorobenzene

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-4-(trifluoromethoxy)benzene451-85-463 % similar 2,6-Dichelorotrifluoromethoxybenzene97608-49-663 % similar 3-Chloro-4-(trifluoromethoxy)aniline64628-73-559 % similar 3-Chloro-4-(trifluoromethoxy)benzonitrile129604-26-859 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-557 % similar 2-(Trifluoromethoxy)bromobenzene64115-88-455 % similar 4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene261763-18-254 % similar 2-Trifluoromethoxyaniline1535-75-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)phenol138377-34-1 3-Chloro-4-hydroxybenzotrifluoride35852-58-5 2-Chloro-5-(trifluoromethyl)phenol40889-91-6 1-Chloro-4-(trifluoromethoxy)benzene461-81-4 3-Chloro-5-hydroxybenzotrifluoride570391-18-3 4-Chloro-3-(trifluoromethyl)phenol6294-93-5 1-Chloro-3-(trifluoromethoxy)benzene772-49-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook