Diclofenac

C₁₄H₁₁Cl₂NO₂CAS 15307-86-5296.15 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₄H₁₁Cl₂NO₂
Molar mass: 296.15 g/mol
Exact mass: 295.0167 Da
Melting point: 156–158 °C
pKa: 4.15
Water solubility: 2.37 mg/L (25 °C)
logP: 4.36Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed30.3% of notifiers
H302 Harmful if swallowed40.4% of notifiers
H361 Suspected of damaging fertility or the unborn child21.3% of notifiers
H361fd Suspected of damaging fertility; Suspected of damaging the unborn child12.4% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure32% of notifiers
H411 Toxic to aquatic life with long lasting effects51.1% of notifiers

Aggregated from 178 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P273, P280, P301+P316, P301+P317, P318, P319, P321, P330, P391, P405, P501

Identifiers

CAS number

15307-86-5

SMILES

O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl

InChIKey

DCOPUUMXTXDBNB-UHFFFAOYSA-N

InChI

InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)

Weigh it out

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

Names and synonyms

27 names · show all

Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-
Acetic acid, [o-(2,6-dichloroanilino)phenyl]-
2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid
N-(2,6-Dichlorophenyl)-o-aminophenylacetic acid
[o-(2,6-Dichloroanilino)phenyl]acetic acid
2-(2,6-Dichloroanilino)phenylacetic acid
Diclofenac acid
Dichlofenac
2-(2,6-Dichlorophenylamino)phenylacetic acid
Pennsaid
Dicloreuma
Transfenac
Diclomelan
Diclofenamic acid
Diclac
Voltaflan
2-[2-(2,6-Dichlorophenylamino)phenyl]acetic acid
Ortofen
DCF 100C
Dicloftil
Voltaren dolo
Flector EP tissugel
Flector
Zorvolex
Vetagesic
Zolterol
2-[2-(2,6-Dichloroanilino)phenyl]acetic acid

Work with Diclofenac

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diclofenac sodium15307-79-6Salt Diclofenac potassium15307-81-0Salt Diclofenac diethylamine78213-16-8Salt Diclofenac epolamine119623-66-4Salt

Similar compounds

Aceclofenac89796-99-673 % similar o-Chlorophenylacetic acid2444-36-267 % similar 2-Anilinophenylacetic acid70172-33-764 % similar 2,3-Dichlorophenylacetic acid10236-60-959 % similar Lumiracoxib220991-20-858 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-356 % similar 1,2-Benzenediacetic acid7500-53-054 % similar 2,6-Dichlorophenylacetic acid6575-24-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Meclofenamic acid644-62-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook