AG003KCU

406-93-9 | 4,4,4-Trifluorobutyric Acid

AG003KCU

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CAS Number	406-93-9
Catalog Number	AG003KCU(AGN-PC-0KKXZK)
Chemical Name	4,4,4-Trifluorobutyric Acid
IUPAC Name	4,4,4-trifluorobutanoic acid
InChI	InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
InChI Key	WTUCTMYLCMVYEX-UHFFFAOYSA-N
MDL Number	MFCD00077604
Molecular Formula	C4H5F3O2
Molecular Weight	142.0765
SMILES	OC(=O)CCC(F)(F)F
Synonyms	4,4,4-Trifluorobutyric Acid, 406-93-9, 4,4,4-trifluorobutanoic acid, 4,4,4-trifluoro-butyric acid, C4H5F3O2, BUTANOIC ACID, 4,4,4-TRIFLUORO-, MFCD00077604, zlchem 266, AC1MCRG7, ACMC-1AI6E, 4,4,4-TrifluorobutyricAcid, SCHEMBL38157, trifluoropropylcarboxylic acid, 4,4,4 trifluorobutyric acid, KSC237I6H, 3-trifluoromethylpropionic acid, 4, 4,4-trifluorobutyric acid, 4,4,4,-trifluorobutyric acid, 4,4,4-trifluoro butyric acid, 4,4,4-trifluoro-butanoic acid, CTK1D7463, KS-00000CFC, DTXSID30380367, ZLC0081, WTUCTMYLCMVYEX-UHFFFAOYSA-N, ALBB-012055, ZINC2149736, ANW-29473, SBB051072, 4,4,4-Trifluorobutyric acid, 97%, AKOS005063381, CS-W007460, EF10052, RP20714, RTR-016246, TRA0019948, 4,4,4-Trifluorobutyric acid, AldrichCPR, AJ-33658, AK-50531, AN-44808, AS-18352, BR-50531, SC-44467, SY004841, AB0024783, DB-001275, ST2417868, TR-016246, 4CH-015715, FT-0616973, W6124, EN300-75982, MFCD00077604 (97%), M-6597, 11504-EP2308858A1, 11504-EP2311816A1, 11504-EP2311817A1, 11504-EP2316827A1, 79367-EP2305695A2, 79367-EP2305696A2, 79367-EP2305697A2, 79367-EP2305698A2, 3S104193, 3S210847, I04-0852, J-513966, F2191-0043, trifluorobutyric acid, 4,4,4-Trifluorobutyric acid 1kg, ACN-032396, CID2777085, 4,4,4-Trifluorobutyric acid, 97% 1g, T2670, 4,4,4-Trifluorobutyric acid, 98% - 1G 1g, 109-55-7,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.024g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.077g/mol
Monoisotopic Mass	142.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number