1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfonamide - CAS 68298-12-4

Name: 1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfonamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB056684
Product Name:	1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfonamide
CAS:	68298-12-4
Synonyms:	AI 3-10704; N-(Perfluorobutylsulfonyl)-N-methylamine; N-Methylperfluorobutanesulfonamide

Technical Data

IUPAC Name:	1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
Description:	1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfonamide is derived from Nonafluoro-1-butanesulfonyl Fluoride (N649320), which is a useful perfluorinated compound (PFC) used in organic synthesis.
Molecular Weight:	313.14
Molecular Formula:	C5H4F9NO2S
Canonical SMILES:	CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI:	InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3
InChI Key:	GFZPUWKGPNHWHD-UHFFFAOYSA-N
Melting Point:	33-38°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Off-White to Pale Yellow Low-Melting Solid
Storage:	4°C
References:	Zimmer, R., et al. J.Prakt. Chem., 340, 274 (1998).

GHS Hazard Statement:	H301 (36.84%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P203, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P318, P321, P330, P337+P317, P391, P405, and P501
Signal Word:	Danger

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Complexity:	406
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	312.981903
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	12
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	312.981903
Rotatable Bond Count:	4
Topological Polar Surface Area:	54.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6