Acetone sodium bisulfite supplier

Name
Acetone sodium bisulfite
EINECS 208-761-2
CAS No. 540-92-1
Density 1.488 g/cm3
Solubility
Melting Point 300 °C
Formula C₃H₈O₄S.Na
Boiling Point
Molecular Weight 162.142
Flash Point
Transport Information
Appearance Crystals that have a slight sulfur dioxide odor and slightly fatty feel
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Propanesulfonicacid, 2-hydroxy-, monosodium salt (8CI,9CI);2-Propanesulfonic acid,2-hydroxy-, sodium salt (7CI);Sodium 1-hydroxy-1-methylethanesulfonate;Sodium 2-hydroxy-2-propanesulfonate;Sodium acetone bisulfite;
PSA 85.81000
LogP 0.34080

Acetone sodium bisulfite Specification

The CAS registry number of 2-Propanesulfonic acid,2-hydroxy-, sodium salt (1:1) is 540-92-1. The IUPAC name is sodium 2-hydroxypropane-2-sulfonate. Its EINECS registry number is 208-761-2. In addition, the molecular formula is C₃H₈O₄S.Na and the molecular weight is 163.14. It is a kind of white powder and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: -1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.45; (4)ACD/LogD (pH 7.4): -5.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.98 Å².

Uses of 2-Propanesulfonic acid,2-hydroxy-, sodium salt (1:1): it can react with propan-2-one and ethane-1,1,2,2-tetracarbonitrile to get 2,2-dimethyl-3,3,4-tricyano-5-amino-2,3-dihydrofuran. This reaction will need solvent H₂O. The reaction time is 15 hours at reaction temperature of 40 °C. The yield is about 40%.

2-Propanesulfonic acid,2-hydroxy-, sodium salt (1:1) can react with propan-2-one and ethane-1,1,2,2-tetracarbonitrile to get 2,2-dimethyl-3,3,4-tricyano-5-amino-2,3-dihydrofuran

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)C(O)(C)C
(2)InChI: InChI=1/C3H8O4S.Na/c1-3(2,4)8(5,6)7;/h4H,1-2H3,(H,5,6,7);/q;+1/p-1
(3)InChIKey: YNJORDSKPXMABC-REWHXWOFAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 1gm/kg (1000mg/kg)		National Technical Information Service. Vol. AD691-490,

Product Name

Acetone sodium bisulfite

Acetone sodium bisulfite Specification

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