1,10-phenanthroline hydrate

• ChemBase ID: 80954
• Molecular Formular: C12H10N2O
• Molecular Mass: 198.2206
• Monoisotopic Mass: 198.07931295
• SMILES: n1cccc2c1c1c(cc2)cccn1.O
• Canonical SMILES: c1ccc2c(n1)c1ncccc1cc2.O
• InChI: InChI=1S/C12H8N2.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H2
• InChIKey: PPQJCISYYXZCAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-phenanthroline hydrate
• IUPAC Traditional name: 1,10-phenanthroline hydrate; phen hydrate
• Synonyms: o-Phenanthroline monohydrate; 1,10-Phenanthroline monohydrate; 1,10-Phenanthroline monohydrate; o-Phenanthroline; 4,5-Diazaphenanthrene; 1,10-Fenanthrolin; 1,10-Fenantrolina; beta-Phenanthroline; 1,10-Phenanthrolineo-phenanthroline; 1,10-PHENANTHROLINE, ACS; o-PHENANTHROLINE HYDRATE; 邻菲咯啉 一水合物; 1,10-菲咯啉 一水合物; 1,10-邻二氮杂菲 一水合物

Database IDs

• CAS Number: 5144-89-8
• EC Number: 200-629-2
• MDL Number: MFCD00149973
• Beilstein Number: 4008096
• Merck Index: 147214
• PubChem SID: 24887201; 24278663; 24859241; 162068073; 24860287
• PubChem CID: 21226

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2141137
• LogD (pH = 7.4): 2.287525
• Log P: 2.2885551
• Molar Refractivity: 53.9006 cm^3
• Polarizability: 23.776546 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: methanol: soluble200 mM (Stock solution is stable for months at –20° C.)
• Melting Point: 100°C; 100-104 °C(lit.); 100-104°C; 117-120 °C (ex dried substance); 97-101°C; 97-104°C; 99-104 °C
• Density: 1.259

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Toxic/Hygroscopic/Store under Argon
• RTECS: SF8300000; SF8437000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 25-50/53; R:25-50/53
• Safety Statements: 45-60-61; S:28-36/37/39-45-53-60-61
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H400-H410; H301-H410
• GHS Precautionary statements: P273-P264-P301+P310-P321-P405-P501A; P273-P301 + P310-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Pharmacology Properties

• Gene Information: human ... FNTA(2339)

Product Information

• Purity: ≥99%; ≥99.0%; ≥99.0% (HPLC); ≥99.0% (NT); ≥99.5% (calc. to the dried substance); 8.5-9.5% water basis; 99%; 99+%
• Grade: ACS; ACS reagent; JIS special grade; puriss. p.a.; REAGENT; reagent grade
• Suitability: passes test for determination of iron; passes test for iron detection; passes test for iron determination; passes test for redox indicator
• Ignition Residue: ≤0.05%; ≤0.05% (as SO4)
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤20 mg/kg; Co: ≤20 mg/kg; Cr: ≤20 mg/kg; Cu: ≤20 mg/kg; Fe: ≤20 mg/kg; K: ≤100 mg/kg; Mg: ≤20 mg/kg; Mn: ≤20 mg/kg; Na: ≤100 mg/kg; Ni: ≤20 mg/kg; Pb: ≤20 mg/kg; Zn: ≤20 mg/kg
• Quality: for the spectrophotometric determination of Fe, Pd, V
• Empirical Formula (Hill Notation): C12H8N2 · H2O

DETAILS

MP Biomedicals - 02152553

ACS Reagent Grade
Monohydrate

MP Biomedicals - 02150147

Crystalline
Monohydrate
Redox indicator and reagent for spectrophotometric assay of silver.

MP Biomedicals - 05216513

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P1294

Application
当与铜络合时，具有核酸酶活性，用于研究 DNA-蛋白质相互作用。
Biochem/physiol Actions
金属蛋白酶抑制剂;可与铁、锌和其他二价金属形成螯合物。有效浓度 1-10mM。

Sigma Aldrich - 24-1270

Application
When complexed with copper, it possesses nuclease activity that has been used to study DNA-protein interactions.
Biochem/physiol Actions
Metalloprotease inhibitor; chelates iron, zinc and other divalent metals. Effective concentration 1-10 mM.

Sigma Aldrich - 77500

Application
When complexed with copper, it possesses nuclease activity that has been used to study DNA-protein interactions.
Biochem/physiol Actions
Metalloprotease inhibitor; chelates iron, zinc and other divalent metals. Effective concentration 1-10 mM.

Sigma Aldrich - P9375

Application
当与铜络合时，具有核酸酶活性，用于研究 DNA-蛋白质相互作用。
Biochem/physiol Actions
金属蛋白酶抑制剂;可与铁、锌和其他二价金属形成螯合物。有效浓度 1-10mM。
包装
1, 5, 25, 100 g in poly bottle

Sigma Aldrich - 33510

Application
When complexed with copper, it possesses nuclease activity that has been used to study DNA-protein interactions.
Biochem/physiol Actions
Metalloprotease inhibitor; chelates iron, zinc and other divalent metals. Effective concentration 1-10 mM.

Sigma Aldrich - 320056

Application
When complexed with copper, it possesses nuclease activity that has been used to study DNA-protein interactions.
Biochem/physiol Actions
Metalloprotease inhibitor; chelates iron, zinc and other divalent metals. Effective concentration 1-10 mM.
Packaging
25, 50, 100 g in poly bottle
5 g in glass bottle

Sigma Aldrich - P12804

Application
When complexed with copper, it possesses nuclease activity that has been used to study DNA-protein interactions.
Biochem/physiol Actions
Metalloprotease inhibitor; chelates iron, zinc and other divalent metals. Effective concentration 1-10 mM.

REFERENCES

• Redox indicator.
• Chelating ligand for the determination of Fe, Pd and V.