sodium 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

• ChemBase ID: 75331
• Molecular Formular: C14H8NNaO7S
• Molecular Mass: 357.27059
• Monoisotopic Mass: 356.99191688
• SMILES: S(=O)(=O)(c1c(c2c(c(c1O)N)C(=O)c1ccccc1C2=O)O)[O-].[Na+]
• Canonical SMILES: O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2N)O)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C14H9NO7S.Na/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);/q;+1/p-1
• InChIKey: IFSXZLJQEKGQAF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
• IUPAC Traditional name: sodium 4-amino-1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonate
• Synonyms: Nuclear Fast Red Sodium salt; 4-Amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid sodium salt; Nuclear Fast Red; Calcium Red; Kernechtrot Solution; Nuclear Fast Red solution

Database IDs

• CAS Number: 6409-77-4
• EC Number: 229-088-0
• MDL Number: MFCD00078493
• PubChem SID: 162040249; 24897617; 24881942; 24853728; 24897846
• PubChem CID: 23677995
• Color Index Number: 60760

CALCULATED PROPERTIES

• Acid pKa: -3.6248846
• H Acceptors: 8
• H Donor: 3
• LogD (pH = 5.5): 0.9488209
• LogD (pH = 7.4): 0.88772273
• Log P: 3.0408547
• Molar Refractivity: 79.314 cm^3
• Polarizability: 30.329521 Å^3
• Polar Surface Area: 157.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 518 nm

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; 3
• Risk Statements: 36; 36/37/38
• Safety Statements: 26; 26-36
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H315-H319-H335; H318-H412
• GHS Precautionary statements: P261-P305 + P351 + P338; P273-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Grade: for microscopy (Bot., Hist.)
• Suitability: suitable for determination of calcium
• Clinical: for in vitro diagnostic use
• Shelf Life: (Expiry date on the label)
• Quality Level: IVD
• Empirical Formula (Hill Notation): C14H8NNaO7S

DETAILS

Sigma Aldrich - N8002

Application
Used as a biological stain
Packaging
5 g in glass bottle

Sigma Aldrich - N3020

Components
Nuclear fast red 0.1% in 5% aluminum sulfate.
Application
Used as a red nuclear counterstain.

Sigma Aldrich - 60700

Application
Used as a biological stain

Sigma Aldrich - 229113

Application
Suitable for determination of calcium
Used as a biological stain
Packaging
5 g in glass bottle