sodium 4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonate

• ChemBase ID: 105964
• Molecular Formular: C16H11N2NaO4S
• Molecular Mass: 350.32431
• Monoisotopic Mass: 350.03372212
• SMILES: [Na+].Oc1ccc2ccccc2c1/N=N/c1ccc(cc1)S(=O)(=O)[O-]
• Canonical SMILES: Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)[O-])cccc2.[Na+]
• InChI: InChI=1S/C16H12N2O4S.Na/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1
• InChIKey: CQPFMGBJSMSXLP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonate; sodium 4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonate
• IUPAC Traditional name: sodium 4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]benzenesulfonate; sodium 4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]benzenesulfonate
• Synonyms: 2-naphthol orange; Orange Ie; CI 15510; Acid orange 7; Acid Orange 7; 4-(2-Hydroxy-1-naphthylazo)benzanosulfonic acid; ORANGE II SODIUM SALT; Orange II sodium salt; 4-(2-Hydroxy-1-naphthylazo)benzenesulfonic acid sodium salt; Acid Orange A; Orange II; Tropaeolin 000 No. 2; 4-(2-羟基-1-萘偶氮)苯磺酸 钠盐; 橙黄 II; 酸性二号橙; 酸性橙 7; 金莲橙 OOO-2; 金橙 II 钠盐

Database IDs

• CAS Number: 633-96-5
• EC Number: 211-199-0
• MDL Number: MFCD00011657
• Beilstein Number: 3898201
• PubChem SID: 24886822; 24851680; 162092700
• PubChem CID: 23682006
• Chemspider ID: 21171709
• Unique Ingredient Identifier: Q1LIY3BO0U
• Wikipedia Title: Acid_orange_7
• Color Index Number: 15510

CALCULATED PROPERTIES

• Acid pKa: -3.2710867
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.8695605
• LogD (pH = 7.4): 1.8695431
• Log P: 2.1887527
• Molar Refractivity: 88.3089 cm^3
• Polarizability: 34.155506 Å^3
• Polar Surface Area: 102.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 483 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: DB7084000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (HPLC); Dye Content ~75%
• Grade: analytical standard; certified by the Biological Stain Commission; for microscopy (Hist.); indicator (pH 11.0-13.0)
• Compostion: Dye content, ~85%; Dye content, >85%
• Product Line: BioXtra
• Empirical Formula (Hill Notation): C16H11N2NaO4S

DETAILS

MP Biomedicals - 02195359

C.I. 15510
Sodium Salt
Dye Content: ~75% Reagent for spectrophotometric determination of cationic surfactants.

Sigma Aldrich - O4505

Suitability
Certified as a substitute for methyl orange in the Wilson-Ezrin method for pituitary acidophils; as a counterstain for Heidenhain′s or Weigert′s hematoxylin on paraffin sections; as a substitute for Orange G in Flemming′s triple stain.

Sigma Aldrich - 195235

Packaging
25, 100 g in poly bottle
Suitability
Certified for use in the Wilson-Ezrin method for pituitary acidophils, as a counterstain following Heidenhain′s or Weigert′s hematoxylin on paraffin sections, and as a substitute for orange G in Floemming′s triple stain.

Sigma Aldrich - 75370

Other Notes
Reagent for the extraction and spectrophotomeric determination of cationic surfactants1