4-[5-(3,5-Dichlorophenyl)-5-(Trifluoromethyl)-4,5-Dihydro-1,2-Oxazol-3-Yl]-2-Methylbenzoic Acid

English synonyms

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoicacid;
4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoicacid;
FluChemicalbookralanerImpurity2;FluralanerImpurity3;Fluralaner-024;FluralanerImpurity6;
FluralanerN-1intermediate;
Benzoicacid,4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-

CAS number

864725-62-2

Molecular formula

C18H12CI2F3NO3

Molecular weight

418.19

Boiling point

511.3±60.0℃(Predicted)

Density

1.49±0.1 g/cm3(Predicted)

Storage conditions

2-8℃ Refrigerator

Acidity coefficient (pKa)

3.61±0.25(Predicted)

Appearance

White to off-white solid

InChl

InChl=1S/C18H12Cl2F3NO3/c1-9-4-10(2-3-14(9)16(25)26)15-8-17(27-24-15,18(21,22)23)
11-5-12(19)7-13 (20)6-11/h2-7H,8H2,1H3,(H,25,26)

InChlKey

KBWVSPGZOPXKRR-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=C(C2CC(C3=CC(CI)=CC(CI)=C3)(C(F)(F)F)ON=2)C=C1C