5,6-Dimethyl-2,3-pyrazinedicarbonitrile
Basic information
- CAS
40227-17-6- Standard SMILES
Cc1nc(C#N)c(C#N)nc1C- InChIKey
VPRRXMCIOHZBCX-UHFFFAOYSA-N- Molecular formula
- C8H6N4
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.05924621
Names & identifiers
- Preferred name
- 5,6-Dimethyl-2,3-pyrazinedicarbonitrile
- IUPAC
- 5,6-dimethylpyrazine-2,3-dicarbonitrile
- English name
- 5,6-DIMETHYL-2,3-PYRAZINEDICARBONITRILE
- Molecular formula
- C8H6N4
- Molecular weight
- 158.16
Names & synonyms
40227-17-65,6-Dimethyl-2,3-pyrazinedicarbonitrileDTXSID90305935RefChem:528103DTXCID70257064620-615-35,6-dimethylpyrazine-2,3-dicarbonitrileDIMETHYLPYRAZINE-2,3-DICARBONITRILEMFCD001920872,3-Pyrazinedicarbonitrile,5,6-dimethyl-2,3-Dicyano-5,6-dimethylpyrazineNSC172775
Show more names
5,6-Dimethyl-2,3-pyrazinedicarbonitrile 99%5,6-dimethyl-2,3-pyrazine formaldehyde2,3-Pyrazinedicarbonitrile, 5,6-dimethyl-
starbld0001248Maybridge1_007420SCHEMBL2488974SCHEMBL30688772HMS562J06VPRRXMCIOHZBCX-UHFFFAOYSA-NAKOS BBS-00003128CCG-47672
Database identifiers
- CAS
40227-17-6- PubChem CID
- 299559
- DTXSID
DTXSID90305935- EC Number
- 620-615-3
- Nikkaji
- J454.802G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 168 · 168-170 °C (dec.)(lit.)
- Boiling point
- 405.4 · 405.4±45.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -6.5 · -6.50±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
General Description5,6-Dimethyl-2,3-pyrazinedicarbonitrile, a pyrazine (paradiazine) derivative, is a heterocyclic building block. It is a heterocyclic six-membered aromatic compound bearing nitrogen atoms at para positions.
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Related reactions
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Compound notes
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