133804-66-7
3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID
Name3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID
1Identification
【Name】
3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID
【CAS】
【MDL】
MFCD07779330
【English Synonyms】
【Formula】
C9 H4 F6 O2
【MolWeight】
258.117
【Inchi】
InChI=1S/C9H4F6O2/c10-8(11,12)5-2-1-4(7(16)17)3-6(5)9(13,14)15/h1-3H,(H,16,17)
【InChIKey】
InChIKey=BAHWMAXSOZBJDO-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)O)C(F)(F)F)C(F)(F)F
【MOL File】
3,4-BIS(TRIFLUOROMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID.cml