ChemicalBook--->CAS DataBase List--->873-55-2

873-55-2

873-55-2 Structure

873-55-2 Structure
IdentificationMore
[Name]

Sodium benzenesulfinate
[CAS]

873-55-2
[Synonyms]

4-CHLOROBENZENESULFINIC ACID SODIUM SALT
4-CHLOROBENZENESULFINIC ACID SODIUM SALT HYDRATE
4-CHLOROBENZENESULPHINIC ACID SODIUM SALT
P-CHLOROBENZENESULFINIC ACID SODIUM SALT
SODIUM 4-CHLOROBENZENESULFINATE
SODIUM 4-CHLOROBENZENE SULFINIC ACID
Sodium benzene sulfonate,Sodium benzosulfonate
BENZENESULFINIC ACID NA SALT
Natriumbenzolsulfinat
Benzenesulfinic acid sodium salt
Sodium benzenesulfinate
BENZENSULFINIC ACID SODIUM SALT
Benzenesulfinic acid/Sodium benzene sulphinate
[EINECS(EC#)]

212-842-8
[Molecular Formula]

C6H5NaO2S
[MDL Number]

MFCD00035602
[Molecular Weight]

164.16
[MOL File]

873-55-2.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder or crystals
[Melting point ]

>300 °C(lit.)
[Boiling point ]

83-84 °C
[density ]

1.45[at 20℃]
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Water
[form ]

Crystals or Crystalline Powder
[color ]

White
[Water Solubility ]

Soluble in water.
[Sensitive ]

Hygroscopic
[BRN ]

3598405
[InChI]

InChI=1S/C6H6O2S.Na/c7-9(8)6-4-2-1-3-5-6;/h1-5H,(H,7,8);/q;+1/p-1
[InChIKey]

CHLCPTJLUJHDBO-UHFFFAOYSA-M
[SMILES]

[Na+].C1(S([O-])=O)=CC=CC=C1
[LogP]

-3.54
[CAS DataBase Reference]

873-55-2(CAS DataBase Reference)
[EPA Substance Registry System]

873-55-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P280-P261-P271
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[WGK Germany ]

1
[RTECS ]

DA9135000
[TSCA ]

T
[REACH Registrations]

Inactive
[HS Code ]

29309090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzene-->Sodium sulfite-->Chlorosulfonic acid-->Sodium metabisulfite-->Benzenesulfonyl chloride-->Benzenesulfonic acid sodium salt-->GCLE-->Iodobenzene-->Phenylmagnesium chloride-->Bromobenzene
[Preparation Products]

methyl(±)cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl cyclopropane carboxylate)-->Phenyl vinyl sulfone-->Methyl pent-4-yn-2-ylcarbamate-->Benzenethionosulfonic acid, sodium salt-->Fast Scarlet Base LG-->N-n-Butyl benzene sulfonamide-->Benzenesulfenic acid,2,4-dinitro-, ethyl ester-->3,4-diphenyl-4H-1,2,4-triazole-->Bis(2,4-dinitrophenyl) disulfide-->Benzenesulfinic acid-->1-Bromo-4-(phenylsulfonyl)benzene-->Dioxo(phenyl)(3-phenyl-2-propenyl)-lambda6-sulfane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Benzenesulfinic acid sodium salt(873-55-2).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder or crystals
[Uses]

Benzenesulfinic Acid Sodium Salt is used reduce the adverse chemical interaction involved in the coupling of self/dual-cured composites to hydrated dentin.
[General Description]

Benzenesulfinic acid sodium salt when treated with alkynylselenonium salts yields (Z)-β-alkoxyvinylsulfones. It undergoes rhodium-catalyzed desulfinative coupling with aldehydes to yield ketones.
[Purification Methods]

Dissolve it in the minimum volume of O2 free H2O (prepared by bubbling N2 through for 2 hours) and adding O2 free EtOH (prepared as for H2O), set aside at 4o overnight under N2, filter, wash with EtOH, then Et2O and dry in vacuo. The Na salt is relatively stable to air oxidation, but is best kept under N2 in the dark. Also recrystallise it from EtOH and dry it at 120o for 4hours in a vacuum. [Kornblum & Wade J Org Chem 52 5301 1987, Beilstein 11 II 2, 11 IV 3.]
Spectrum DetailBack Directory
[Spectrum Detail]

BENZENESULFINIC ACID SODIUM SALT(873-55-2)1HNMR
BENZENESULFINIC ACID SODIUM SALT(873-55-2)IR1
BENZENESULFINIC ACID SODIUM SALT(873-55-2)IR2
BENZENESULFINIC ACID SODIUM SALT(873-55-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzenesulfinic acid, sodium salt, 97%(873-55-2)
[Alfa Aesar]

Benzenesulfinic acid sodium salt, 98%(873-55-2)
[Sigma Aldrich]

873-55-2(sigmaaldrich)
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