Pyrazine

• CAS: 290-37-9
• Catalog Number: ACM290379
• Category: Other Products
• Molecular Weight: 80.09
• Molecular Formula: C4H4N2
• Description: Solid;deliquescent crystals or wax-like solid with a pungent, sweet, corn-like, nutty odour
• Synonyms: FEMA 4015;FEMA NUMBER 4015;1,4-DIAZINE;1,4-Diazabenzene;Paradiazine;p-Diazine;Piazine;Pyrazin
• IUPAC Name: pyrazine
• Canonical SMILES: C1=CN=CC=N1
• InChI: InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
• InChI Key: KYQCOXFCLRTKLS-UHFFFAOYSA-N
• Boiling Point: 115.0 °C
• Melting Point: 54 °C
• Flash Point: 132°F
• Density: 1.031g/mL at 25°C(lit.)
• Solubility: freely soluble in water, organic solvents;very soluble (in ethanol)
• Appearance: White to Almost white powder to crystal
• Storage: Store under inert gas
• Complexity: 26.5
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 1
• EC Number: 206-027-6
• Exact Mass: 80.037448g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.H228 : Flammable solid.
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 6
• LogP: -0.26 (LogP);-0.26;-0.26
• MDL Number: MFCD00006122
• Monoisotopic Mass: 80.037448g/mol
• NSC Number: 400221
• pKa: pKa2 0.57 (25 °, H₂O)
• Precautionary Statements: P240 : Ground/bond container and receiving equipment.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 0
• Safety Description: 26-36-16
• Signal Word: Warning
• Supplemental Hazard Statements: H315-H319-H228-H335
• Symbol: GHS02,GHS07
• UNII: 2JKE371789
• Vapor Pressure: 10.81 mmHg
• XLogP3: -0.2

Custom Q&A

What is the molecular formula of pyrazine?

The molecular formula of pyrazine is C4H4N2.

What is the molecular weight of pyrazine?

The molecular weight of pyrazine is 80.09 g/mol.

What is the IUPAC name of pyrazine?

The IUPAC name of pyrazine is pyrazine.

What is the InChI of pyrazine?

The InChI of pyrazine is InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H.

What is the InChIKey of pyrazine?

The InChIKey of pyrazine is KYQCOXFCLRTKLS-UHFFFAOYSA-N.

What is the canonical SMILES of pyrazine?

The canonical SMILES of pyrazine is C1=CN=CC=N1.

What is the CAS number of pyrazine?

The CAS number of pyrazine is 290-37-9.

What is the UNII of pyrazine?

The UNII of pyrazine is 2JKE371789.

What is the ChEMBL ID of pyrazine?

The ChEMBL ID of pyrazine is CHEMBL15797.

What is the FEMA number of pyrazine?

The FEMA number of pyrazine is 4015.