2,4,6-Trichlorophenyl formate

C₇H₃Cl₃O₂CAS 4525-65-9225.45 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₃Cl₃O₂
Molar mass: 225.45 g/mol
Exact mass: 223.9199 Da
logP: 3.18Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4525-65-9

SMILES

C1=C(C=C(C(=C1Cl)OC=O)Cl)Cl

InChIKey

YSUDXADDVAYVNS-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl3O2/c8-4-1-5(9)7(12-3-11)6(10)2-4/h1-3H

Weigh it out

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

Work with 2,4,6-Trichlorophenyl formate

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

TCPO1165-91-948 % similar 2,4,6-Trichlorobenzaldehyde24473-00-548 % similar 2,4,6-Trichloroanisole87-40-148 % similar Bis(2,4,6-trichlorophenyl) propanedioate15781-70-144 % similar 2,4-Dichloro-6-hydroxybenzaldehyde78443-72-844 % similar 3,5-Dichlorosalicylaldehyde90-60-844 % similar 2,4,6-Trichlorophenol88-06-243 % similar 2,3,5-Trichlorobenzaldehyde56961-75-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,6-Trichlorobenzoic acid50-31-7 2,4,6-Trichlorobenzoic acid50-43-1 2,3,5-Trichlorobenzoic acid50-73-7 3,4,5-Trichlorobenzoic acid51-39-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook