AG0036Y3

646-97-9 | 1,1,1-Trifluoro-2-(trifluoromethyl)pent-4-en-2-ol

AG0036Y3

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CAS Number	646-97-9
Catalog Number	AG0036Y3(AGN-PC-0JM6D5)
Chemical Name	1,1,1-Trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
IUPAC Name	1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
InChI	InChI=1S/C6H6F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h2,13H,1,3H2
InChI Key	VHSCQANAKTXZTG-UHFFFAOYSA-N
MDL Number	MFCD03092986
Molecular Formula	C6H6F6O
Molecular Weight	208.1017
NSC Number	309805
SMILES	C=CCC(C(F)(F)F)(C(F)(F)F)O
Synonyms	646-97-9, 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol, 2-allylhexafluoroisopropanol, 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol, 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-, 2-(allyl)hexafluoroisopropanol, VHSCQANAKTXZTG-UHFFFAOYSA-N, J-503694, NSC309805, BTHB, allylhexafluoroisopropanol, allylhexafluoro-isopropanol, AC1L73JZ, C6H6F6O, SCHEMBL239594, CTK2F4870, 2-Allylhexafluoroisopropanol 97%, DTXSID40316970, KS-000013MS, ZINC1568919, ZX-AP000163, 1,1-bis(trifluoromethyl)-3-butenol, 7370AE, MFCD03092986, PC1259, SBB093979, AKOS005063354, FS-4390, MCULE-1747080634, NSC-309805, RP26398, 1,1-bis (trifluoromethyl) -3-butenol, 1,1-Bis(trifluoromethyl)-3-butene-1-ol, AN-47082, CJ-24655, DB-001167, FT-0610995, ST51041701, 4,4-bis(trifluoromethyl)-4-hydroxy-1-butene, 4,4-bis (trifluoromethyl)-4-hydroxy-1-butene, 1,1,1-trifluoro-2-trifluoromethyl-4-penten-2-ol, 646T979, 1,1,1-trifluoro-2-trifluoromethyl-pent-4-ene-2-ol, 4-Penten-2-ol,1,1-trifluoro-2-(trifluoromethyl)-, I14-7917, 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol #, Allyl Hexafluoroisopropanol, 2-allyl hexafluoroisopropanol, 2-Allylhexafluoroisopropanol 250g, ACN-S002447, CID328870, T2968, 1,1,1-TRIFLUORO-2- PENT-4-EN-2-OL, 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.032g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.103g/mol
Monoisotopic Mass	208.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 1987

Certificate of Analysis

Lot Number