Sodium 2-Iodo-5-methylbenzenesulfonate - CAS 152716-82-0

Catalog:	BB056782
Product Name:	Sodium 2-Iodo-5-methylbenzenesulfonate
CAS:	152716-82-0
Synonyms:	Sodium 2-iodo-5-methylbenzenesulfonate; sodium; 2-iodo-5-methylbenzenesulfonate; Sodium2-iodo-5-methylbenzenesulfonate; Sodium 2-iodo-5-methylbenzene-1-sulfonate; 2-Iodo-5-methylbenzenesulfonic acid sodium salt

Technical Data

IUPAC Name:	sodium2-iodo-5-methylbenzenesulfonate
Description:	Sodium 2-iodo-5-methylbenzenesulfonate (CAS# 152716-82-0) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	320.08
Molecular Formula:	C7H6INaO3S
Canonical SMILES:	CC1=CC(=C(C=C1)I)S(=O)(=O)[O-].[Na+]
InChI:	InChI=1S/C7H7IO3S.Na/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,1H3,(H,9,10,11)/q+1/p-1
InChI Key:	FLUQPFRGXKRYMK-UHFFFAOYSA-M
Melting Point:	>300°C
Solubility:	DMSO (Slightly), Water (Slightly)
Appearance:	Off-White to Pale Yellow Solid
Storage:	-20°C, Inert atmosphere
References:	Uyanik, M., et al. e-EROS Encyclopedia of Reagents for Organic Synthesis, 1(2016); Uyanik, M., et al. Angew. Chem. Int. Ed., 56, 3956 (2017).

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	319.89801
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	319.89801
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0