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Pyrazine

Catalog Number
ACM290379
CAS Number
290-37-9
Product Name
Pyrazine
Structure
Category
Metal Organic Frameworks (MOFs)
Synonyms
FEMA 4015;FEMA NUMBER 4015;1,4-DIAZINE;1,4-Diazabenzene;Paradiazine;p-Diazine;Piazine;Pyrazin
Description
Solid;deliquescent crystals or wax-like solid with a pungent, sweet, corn-like, nutty odour
IUPAC Name
pyrazine
Molecular Weight
80.09
Molecular Formula
C4H4N2
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
Purity
>98.0%(GC)
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
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.
Heavy Atom Count
6
Log P
-0.26 (LogP);-0.26;-0.26
MDL Number
MFCD00006122
Monoisotopic Mass
80.037448g/mol
NSC Number
400221
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
UNII
2JKE371789
Vapor Pressure
10.81 mmHg
XLogP3
-0.2
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