Benzenesulfonic acid,4-(acetylamino)- supplier

Name
N-acetylsulphanilic acid
EINECS 204-487-2
CAS No. 121-62-0
Article Data21
CAS DataBase
Density 1.481 g/cm³
Solubility
Melting Point
Formula C₈H₉NO₄S
Boiling Point
Molecular Weight 215.23
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Sulfanilicacid, N-acetyl- (6CI,7CI,8CI);4-Acetamidobenzenesulfonic acid;4-Acetylaminobenzenesulfonic acid;Acetanilide-p-sulfonic acid;N-Acetylsulfanilic acid;N-p-Acetylanilinosulfonic acid;N4-Acetylsulfanilicacid;p-Acetamidobenzenesulfonic acid;p-Acetylaminobenzenesulfonic acid;
PSA 95.34000
LogP 2.62200

Benzenesulfonic acid,4-(acetylamino)- Specification

The Benzenesulfonic acid, 4-(acetylamino)-, with the CAS registry number of 121-62-0, is also known as N-Acetylsulphanilic acid. Its EINECS registry number is 204-487-2. This chemical's molecular formula is C₈H₉NO₄S and molecular weight is 215.22636. What's more, its IUPAC name is 4-Acetamidobenzenesulfonic acid.

Physical properties about Benzenesulfonic acid, 4-(acetylamino)- are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.46; (4)ACD/LogD (pH 7.4): -3.46; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 50.12 cm³; (15)Molar Volume: 145.2 cm³; (16)Surface Tension: 64.6 dyne/cm; (17)Density: 1.481 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c1ccc(NC(=O)C)cc1
(2) InChI: InChI=1/C8H9NO4S/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)
(3) InChIKey: ZQPVMSLLKQTRMG-UHFFFAOYAU

Product Name

N-acetylsulphanilic acid

Benzenesulfonic acid,4-(acetylamino)- Specification

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