Tralopyril CAS 122454-29-9

Tralopyril Basic information

Description preparation

Product Name:

Tralopyril

CAS:

122454-29-9

MF:

C12H5BrClF3N2

MW:

349.53

EINECS:

Mol File:

122454-29-9.mol

Tralopyril Chemical Properties

Boiling point

450.6±45.0 °C(Predicted)

density

1.78±0.1 g/cm3(Predicted)

pka

10.24±0.50(Predicted)

Henry's Law Constant

4.5×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)

InChI

InChI=1S/C12H5BrClF3N2/c13-9-8(5-18)10(19-11(9)12(15,16)17)6-1-3-7(14)4-2-6/h1-4,19H

InChIKey

XNFIRYXKTXAHAC-UHFFFAOYSA-N

SMILES

N1C(C(F)(F)F)=C(Br)C(C#N)=C1C1=CC=C(Cl)C=C1

EPA Substance Registry System

4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile (122454-29-9)