N-Acetoacetcresidine sulfonic acid sodium salt supplier

Name
N-Acetoacetcresidine sulfonic acid sodium salt
EINECS 411-680-7
CAS No. 133167-77-8
Density
Solubility
Melting Point
Formula C₁₂H₁₄O₆NSNa
Boiling Point
Molecular Weight 323.302
Flash Point
Transport Information
Appearance Liquid
Safety 24-37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenesulfonicacid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, monosodium salt (9CI);4-[(1,3-Dioxobutyl)amino]-5-methoxy-2-methyl-benzenesulfonic acid monosodium salt;Sodium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate;3-Acetoacetylamino-4-methoxytoluene-6-sulfonic acid sodium salt;
PSA 120.98000
LogP 1.97910

N-Acetoacetcresidine sulfonic acid sodium salt Specification

The N-Acetoacetcresidine sulfonic acid sodium salt, with the CAS registry number 133167-77-8, is also known as 3-Acetoacetylamino-4-methoxytoluene-6-sulfonic acid sodium salt. This chemical's molecular formula is C₁₂H₁₄O₆NSNa and molecular weight is 323.30. What's more, its systematic name is Sodium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate.

Physical properties of N-Acetoacetcresidine sulfonic acid sodium salt are: (1)ACD/LogP: 0.6; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.90; (4)ACD/LogD (pH 7.4): -2.90; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 109.36 Å².

When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitisation by skin contact, so you should avoid contact with skin. When using it, you need to wear suitable gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c1cc(OC)c(NC(=O)CC(=O)C)cc1C
(2)Std. InChI: InChI=1S/C12H15NO6S.Na/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18;/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18);/q;+1/p-1
(3)Std. InChIKey: ZAUOYAYGXONHDV-UHFFFAOYSA-M

Product Name

N-Acetoacetcresidine sulfonic acid sodium salt

N-Acetoacetcresidine sulfonic acid sodium salt Specification

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