structure of Benzyl 2-chloro-2-[2-(3-trifluoromethylphenyl)hydrazono]acetate

Benzyl 2-chloro-2-[2-(3-trifluoromethylphenyl)hydrazono]acetate

CAS No.: 1000576-10-2
M. Wt: 356.727
M. Fa: C16H12ClF3N2O2
InChI Key: PJLRNGNRMWYEMZ-HYARGMPZSA-N
Appearance: Solid

Names and Identifiers of 1000576-10-2

CAS Number

1000576-10-2

IUPAC Name

benzyl (2E)-2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate

InChI

InChI=1S/C16H12ClF3N2O2/c17-14(15(23)24-10-11-5-2-1-3-6-11)22-21-13-8-4-7-12(9-13)16(18,19)20/h1-9,21H,10H2/b22-14+

InChIKey

PJLRNGNRMWYEMZ-HYARGMPZSA-N

Canonical SMILES

C1=CC=C(C=C1)COC(=O)C(=NNC2=CC=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C(=N\NC2=CC=CC(=C2)C(F)(F)F)/Cl

Physical and chemical properties of 1000576-10-2

Boiling Point

412.4±55.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

356.053955

Flash Point

203.2±31.5 °C

Index of Refraction

1.537

LogP

5.82

Molecular Formula

C16H12ClF3N2O2

Molecular Weight

356.727

Vapour Pressure

0.0±1.0 mmHg at 25°C

Interaction Studies of 1000576-10-2

Interaction studies involving Benzyl 2-chloro-2-[2-(3-trifluoromethylphenyl)hydrazono]acetate focus on its reactivity with biological macromolecules. Preliminary studies suggest that it may interact with proteins through hydrophobic interactions due to its aromatic structures. Further research is needed to elucidate its full interaction profile and potential biological mechanisms.