2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[(phenylsulfonyl)amino]- supplier

Name
4-hydroxy-5-[(phenylsulphonyl)amino]naphthalene-2,7-disulphonic acid
EINECS 201-459-1
CAS No. 83-22-7
Article Data3
CAS DataBase
Density 1.79 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₃NO₉S₃
Boiling Point
Molecular Weight 459.47
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2,7-Naphthalenedisulfonicacid, 4-benzenesulfonamido-5-hydroxy- (8CI);4-Benzenesulfonamido-5-hydroxy-2,7-naphthalenedisulfonic acid;8-Benzenesulfonamido-1-naphthol-3,6-disulfonic acid;8-Phenylsulfonamido-1-naphthol-3,6-disulfonic acid;H Acid benzenesulfonamide;Lissamine Red 7BP;N-Benzenesulfonyl-H Acid;
PSA 200.28000
LogP 5.15500

2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[(phenylsulfonyl)amino]- Specification

The 2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[(phenylsulfonyl)amino]-, with the CAS registry number 83-22-7, is also known as 8-Benzenesulfonamido-1-naphthol-3,6-disulfonic acid. Its EINECS number is 201-459-1. This chemical's molecular formula is C₁₆H₁₃NO₉S₃ and molecular weight is 459.47. What's more, its IUPAC name is 4-(benzenesulfonamido)-5-hydroxynaphthalene-2,7-disulfonic acid.

Physical properties of 2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[(phenylsulfonyl)amino]- are: (1)ACD/LogP: -1.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.31; (4)ACD/LogD (pH 7.4): -6.52; (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: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 158.49 Å²; (13)Index of Refraction: 1.741; (14)Molar Refractivity: 103.71 cm³; (15)Molar Volume: 256.6 cm³; (16)Polarizability: 41.11×10^-24cm³; (17)Surface Tension: 92.2 dyne/cm; (18)Density: 1.79 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O
(2)InChI: InChI=1S/C16H13NO9S3/c18-15-9-13(29(24,25)26)7-10-6-12(28(21,22)23)8-14(16(10)15)17-27(19,20)11-4-2-1-3-5-11/h1-9,17-18H,(H,21,22,23)(H,24,25,26)
(3)InChIKey: RXLQXRJNFSMYDL-UHFFFAOYSA-N

Product Name

4-hydroxy-5-[(phenylsulphonyl)amino]naphthalene-2,7-disulphonic acid

2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[(phenylsulfonyl)amino]- Specification

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