Sodium Trichloromethanesulfonate Monohydrate - CAS 677027-41-7

Catalog:	BB057777
Product Name:	Sodium Trichloromethanesulfonate Monohydrate
CAS:	677027-41-7
Synonyms:	Trichloro-methanesulfonic Acid Sodium Salt Monohydrate; 1,1,1-Trichloro-methanesulfonic Acid Sodium Salt Hydrate.

Technical Data

IUPAC Name:	sodiumtrichloromethanesulfonatehydrate
Description:	Sodium Trichloromethanesulfonate Monohydrate is used in sulfur x-ray absorption and vibrational spectroscopic study of sulfur dioxide, sulfite, and sulfonate solutions and of substituted sulfonate ions X3CSO3-
Molecular Weight:	221.42 + 18.02
Molecular Formula:	CCl3NaO3S·H2O
Canonical SMILES:	C(S(=O)(=O)[O-])(Cl)(Cl)Cl.O.[Na+]
InChI:	InChI=1S/CHCl3O3S.Na.H2O/c2-1(3,4)8(5,6)7/h(H,5,6,7)1H2/q+1/p-1
InChI Key:	XZEXWMRBBDMXRA-UHFFFAOYSA-M
Melting Point:	>300°C (dec.)
Solubility:	Methanol (Slightly), Water (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Hygroscopic
References:	Risberg, E. D., et al. Inorg. Chem., 46, 8332 (2007).

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.863707
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.863707
Rotatable Bond Count:	0
Topological Polar Surface Area:	66.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0