AG0032SI

461-17-6 | 1,1,1-Trifluoro-4-iodobutane

AG0032SI

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CAS Number	461-17-6
Catalog Number	AG0032SI(AGN-PC-0KKWOT)
Chemical Name	1,1,1-Trifluoro-4-iodobutane
IUPAC Name	1,1,1-trifluoro-4-iodobutane
InChI	InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2
InChI Key	LNDGACQEAYKNOI-UHFFFAOYSA-N
MDL Number	MFCD00041543
Molecular Formula	C4H6F3I
Molecular Weight	237.9901
SMILES	FC(CCCI)(F)F
Synonyms	1,1,1-Trifluoro-4-iodobutane, 461-17-6, 1-Iodo-4,4,4-trifluorobutane, 4,4,4-trifluoro-1-iodobutane, 4,4,4-Trifluorobutyl iodide, 4-iodo-1,1,1-trifluorobutane, LNDGACQEAYKNOI-UHFFFAOYSA-N, Butane, 1,1,1-trifluoro-4-iodo-, MFCD00041543, 1,1,1-trifluoro-4-iodo-butane, AC1MCQ1Q, ACMC-209k5v, AC1Q4K6J, 4,4,4-trifluorobutyliodide, KSC235M2J, SCHEMBL980219, CTK1D5624, 1-iodo-4,4,4-trifluoro-butane, DTXSID80379443, KS-00000D2Z, ZINC2390292, 3994AE, ANW-30401, SBB098875, AKOS003630693, RTR-017375, TRA0028160, 1,1,1-tris(fluoranyl)-4-iodanyl-butane, AS-31128, CJ-08377, FS000322, SC-04544, SY013146, AB0060882, DB-001184, TR-017375, AK00767580, CS-0041662, FT-0607952, MFCD00041543 (97%), C-5436, A826991, 3S210882, I14-13178, C4H6F3I, 1-Iodo-4,4,4-trifluorobutane 100g, CID2775189, T2529, 1,1,1-Trifluoro-4-iodobutane, 98%, stabilized with copper - 1G 1g,

Complexity	58.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.947g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	237.992g/mol
Monoisotopic Mass	237.947g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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