Basic information
- CAS
19485-35-9- Standard SMILES
Cn1cnc(C#N)c1C#N- InChIKey
SUOVGHDPXJUFME-UHFFFAOYSA-N- Molecular formula
- C6H4N4
- Average molar mass
- 132.12 g/mol
- Monoisotopic mass
- 132.04359613
Names & identifiers
- Preferred name
- 1-Methyl-1H-imidazole-4,5-dicarbonitrile
- IUPAC
- 1-methylimidazole-4,5-dicarbonitrile
- English name
- 1-Methyl-1H-imidazole-4,5-dicarbonitrile
- Molecular formula
- C6H4N4
- Molecular weight
- 132.12
Names & synonyms
1-Methyl-1H-imidazole-4,5-dicarbonitrile19485-35-9DTXSID00342598RefChem:433832DTXCID60293678678-675-11-methylimidazole-4,5-dicarbonitrile4,5-Dicyano-1-methyl-1H-imidazoleMFCD015672991H-IMIDAZOLE-4,5-DICARBONITRILE, 1-METHYL-Imidazole, 4,5-dicyano-1-methyl-4,5-dicyano-1-methylimidazole
Show more names
e-4,5-dicarbonitriL4,5-Dicyano-1-methyl-1H-imidazole,≥98%1-Methylimidazole-4,5-dicarbonitrile, 97%1-Methyl-1H-imidazole-4,5-dicarbonitrile ,97%
SCHEMBL5950213SCHEMBL84701194,5-Dicyano-1-methyl imidazoleALBB-0123831-Methylimidazole-45-dicarbonitrileSBB013752STK785165AKOS005083180
Database identifiers
- CAS
19485-35-9- PubChem CID
- 583268
- DTXSID
DTXSID00342598- EC Number
- 678-675-1
- Nikkaji
- J357.668J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 83 · 83-85
- Boiling point
- 148 · 148-150/0.5mm
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -2.46 · -2.46±0.61(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 19485 · 19485-35-9(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,Xn
- Risk Statements
- 25 · 25-36/37/38-20/21/22
- Safety Statements
- 20 · 20-26-36/37-45-60-9
- RIDADR
- 3439 · 3439
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29332900 · 29332900
Safety & regulation
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 5 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
- ridadr
- 3439
- hs_code
- 29332900
- risk_code
- 25-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 20-26-36/37-45-60-9
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers76 total
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Related reactions
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Compound notes
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