2-methylpyrazine

• ChemBase ID: 103403
• Molecular Formular: C5H6N2
• Molecular Mass: 94.11454
• Monoisotopic Mass: 94.0530982
• SMILES: Cc1cnccn1
• Canonical SMILES: Cc1cnccn1
• InChI: InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
• InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyrazine
• IUPAC Traditional name: 2-methylpyrazine
• Synonyms: 2-METHYLPYRAZINE; 2-Methylpyrazine; 2-甲基吡嗪

Database IDs

• CAS Number: 109-08-0
• EC Number: 203-645-8
• MDL Number: MFCD00006142
• Beilstein Number: 105778
• PubChem SID: 24897016; 24901629; 162090591
• PubChem CID: 7976
• FEMA ID: 3309
• Council of Europe Number: 2270
• Flavis Number: 14.027

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.33076355
• LogD (pH = 7.4): -0.3307293
• Log P: -0.33072886
• Molar Refractivity: 26.3357 cm^3
• Polarizability: 10.297127 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -29 °C(lit.); -30°C
• Boiling Point: 135 °C/761 mmHg(lit.); 135-136°C
• Flash Point: 122 °F; 50 °C; 50°C(122°F)
• Density: 1.028; 1.03 g/ml; 1.03 g/mL at 25 °C(lit.)
• Refractive Index: 1.5050; n20/D 1.504(lit.)
• Organoleptic: chocolate; meaty; nutty; green

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: UQ3675000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-22-36/37/38; R:22
• Safety Statements: 26-36; 7-26-36/37; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H315-H319-H335; H301-H315-H319-H335-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; ≥99%; 97%; 98%; 99+%
• Grade: FG; Halal; Kosher; NI
• Empirical Formula (Hill Notation): C5H6N2

DETAILS

MP Biomedicals - 02151673

Purity: 99+% 1 ml = approx. 1.03 g

Sigma Aldrich - W330906

Packaging
1 kg in glass bottle
5kg packaged in closed-head steel drums; sample, 1kg packaged in glass bottles
1 sample in glass bottle
100 g in glass bottle
5 kg in steel drum

Sigma Aldrich - M75608

Packaging
25, 100 g in glass bottle