disodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate

• ChemBase ID: 109539
• Molecular Formular: C10H5NNa2O8S2
• Molecular Mass: 377.25814
• Monoisotopic Mass: 376.92519669
• SMILES: [Na+].[Na+].Oc1c(N=O)c2c(cc(cc2)S(=O)(=O)[O-])cc1S(=O)(=O)[O-]
• Canonical SMILES: O=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C10H7NO8S2.2Na/c12-10-8(21(17,18)19)4-5-3-6(20(14,15)16)1-2-7(5)9(10)11-13;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2
• InChIKey: DMKMTGULLYISBH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate
• IUPAC Traditional name: dipotassium 3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate; disodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate
• Synonyms: 1-NITROSO-2-NAPHTHOL-3,6-DISULFONIC ACID DI NA SALT, REAG; 1-Nitroso-2-naphthol-3,6-disulfonic acid disodium salt; Nitroso-R salt; 3-Hydroxy-4-nitroso-2,7-naphthalenedisulfonic acid disodium salt; 1-Nitroso-R-salt; 1-Nitroso-2-naphthol-3,6-disulfonic acid disodium salt; 1-亚硝基-2-萘酚-3,6-二磺酸 二钠盐; 亚硝基-R 盐; 3-羟基-4-亚硝基-2,7-萘二磺酸 二钠盐; 1-亚硝基-2-萘酚-3,6-二磺酸二钠盐

Database IDs

• CAS Number: 525-05-3
• EC Number: 208-369-1
• MDL Number: MFCD00003885
• Beilstein Number: 3643930
• Merck Index: 146644
• PubChem SID: 162095347; 24886626
• PubChem CID: 10672

CALCULATED PROPERTIES

• Acid pKa: -3.561546
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): -3.0041444
• LogD (pH = 7.4): -3.0062509
• Log P: -2.6994145
• Molar Refractivity: 69.0641 cm^3
• Polarizability: 28.696741 Å^3
• Polar Surface Area: 164.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• RTECS: QJ6480000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22; 36/37/38
• Safety Statements: 22-24/25; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90+%
• Quality: for spectrophotometric det. of Co, Fe, K, Ag, Ba, Ca, Co, Fe, Ni, Pb
• Empirical Formula (Hill Notation): C10H5NNa2O8S2

DETAILS

MP Biomedicals - 05211506

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 73950

General description
Visit our Titration Center to learn more.
Packaging
25, 100 g in glass bottle

REFERENCES

• Reagent for determination of Co and other metals.