AG003E4P

406-81-5 | 4-Bromo-1,1,1-trifluorobutane

AG003E4P

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CAS Number	406-81-5
Catalog Number	AG003E4P(AGN-PC-0JS9SL)
Chemical Name	4-Bromo-1,1,1-trifluorobutane
IUPAC Name	4-bromo-1,1,1-trifluorobutane
InChI	InChI=1S/C4H6BrF3/c5-3-1-2-4(6,7)8/h1-3H2
InChI Key	DBCAQXHNJOFNGC-UHFFFAOYSA-N
MDL Number	MFCD00066335
Molecular Formula	C4H6BrF3
Molecular Weight	190.9896
SMILES	FC(F)(F)CCCBr
Synonyms	1-Bromo-4,4,4-trifluorobutane, 4-Bromo-1,1,1-trifluorobutane, 406-81-5, 4,4,4-Trifluoro-1-bromobutane, 4,4,4-Trifluorobutyl bromide, DBCAQXHNJOFNGC-UHFFFAOYSA-N, MFCD00066335, AC1LAUZU, C4H6BrF3, ACMC-1CTT1, 4,4,4-trifluorobutylbromide, SCHEMBL189853, 1,1,1-trifluoro-4-bromobutane, CTK4I3557, DTXSID50334529, 1-bromo 4,4,4-trifluoro butane, 4-bromo-1,1,1-trifluoro-butane, 4-Bromo-1,1,1-trifluorobutane #, Butane,4-bromo-1,1,1-trifluoro-, ZINC2539603, 5528AB, SBB091214, AKOS006229561, FS-4710, RL03567, 4-bromanyl-1,1,1-tris(fluoranyl)butane, AJ-38901, SC-45889, DB-008051, ST2418132, TR-016241, 4-Bromo-1,1,1-trifluorobutane, AldrichCPR, FT-0607496, C-5591, A825232, J-514530, I14-26345, CID521006, Butane, 4-bromo-1,1,1-trifluoro-, ACN-031771,

Complexity	58.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.96g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.991g/mol
Monoisotopic Mass	189.96g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
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	P261-P305+P351+P338
Signal Words	danger
UN Code	UN 1993

Certificate of Analysis

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