pyrazine

• ChemBase ID: 6413
• Molecular Formular: C4H4N2
• Molecular Mass: 80.08796
• Monoisotopic Mass: 80.03744814
• SMILES: c1cnccn1
• Canonical SMILES: n1ccncc1
• InChI: InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
• InChIKey: KYQCOXFCLRTKLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine
• IUPAC Traditional name: pyrazine
• Synonyms: 1,4-Diazabenzene; p-Diazine; Paradiazine; Piazine; UN 1325; Pyrazine; Pyrazine; 1,4-Diazine; 吡嗪

Database IDs

• CAS Number: 290-37-9
• EC Number: 206-027-6
• MDL Number: MFCD00006122
• Beilstein Number: 103905
• Merck Index: 147957
• PubChem SID: 24887928; 24901971; 24898676; 160969720
• PubChem CID: 9261
• CHEBI ID: 30953
• CHEMBL: 15797
• Chemspider ID: 8904
• FEMA ID: 4015
• Wikipedia Title: Pyrazine
• Flavis Number: 14.144

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.46210837
• LogD (pH = 7.4): -0.46209916
• Log P: -0.46209905
• Molar Refractivity: 21.7442 cm^3
• Polarizability: 8.53228 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water; Soluble in water, alcohol, and ether
• Apperance: Crystalline; White crystals
• Melting Point: 50-53 °C; 50-56 °C; 50-56 °C(lit.); 50-56°C; 52°C; 53°C; 54-56°C; 56 - 57°C
• Boiling Point: 113-116°C; 115°C; 115-116 °C(lit.); 115-116 °C/760 mmHg; 115-116°C; 115-116°C
• Flash Point: 131 °F; 55 °C; 55 °C c.c.; 55.5°C; 55°C(131°F)
• Density: 1.031; 1.031 g/cm^3; 1.031 g/ml; 1.031 g/mL at 25 °C(lit.)
• Refractive Index: 1.5235
• Hydrophobicity(logP): -0.312
• pKa: 0.37 (protonated pyrazine)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: FLAMMABLE
• RTECS: UQ2015000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325; UN1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2; III
• Australian Hazchem: 1Z
• Risk Statements: 11-36/37/38; R:10; R11, R36/37/38
• Safety Statements: 16-26-36; 16-26-37; 7-26-33-37-43; S:9-16-29; S16, S26, S36
• EU Classification: F1
• EU Hazard Identification Number: 4.1B
• Emergency Response Guidebook(ERG) Number: 133
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  2

  2

  0
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P241-P305+P351+P338-P302+P352-P405-P501A; P210-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: ≥99%; ≥98.0% (GC); ≥99%; 95%; 98%; 99%; 99+% (dry wt.) water <1.0%
• Grade: Kosher; purum
• Ignition Residue: ≤0.05%
• Empirical Formula (Hill Notation): C4H4N2

DETAILS

MP Biomedicals - 05217625

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151980

Purity: 99+%
Crystalline
This is an ultra pure grade of pyrazine that surpasses the quality offered by most of our competitors.

Sigma Aldrich - P56003

Packaging
5, 10, 25 g in glass bottle

Sigma Aldrich - W401501

Packaging
1 kg in poly bottle
1 sample in glass bottle
100 g in poly bottle
5 kg in fiber drum