(Methoxymethylene)malononitrile
Basic information
- CAS
672-81-1- Standard SMILES
COC=C(C#N)C#N- InChIKey
PPIRRJFTJMFMSM-UHFFFAOYSA-N- Molecular formula
- C5H4N2O
- Average molar mass
- 108.1 g/mol
- Monoisotopic mass
- 108.03236276
Names & identifiers
- Preferred name
- (Methoxymethylene)malononitrile
- IUPAC
- 2-(methoxymethylidene)propanedinitrile
- English name
- (methoxymethylene)malononitrile
- Molecular formula
- C5H4N2O
- Molecular weight
- 108.1
Names & synonyms
672-81-1(Methoxymethylene)malononitrileEINECS 211-597-4DTXSID50217484RefChem:406596DTXCID50139975211-597-42-(methoxymethylidene)propanedinitrilePropanedinitrile,2-(methoxymethylene)-2-(methoxymethylene)malononitrile2-(Methoxymethylene)propanedinitrileMFCD07437817
Show more names
Propanedinitrile, 2-(MethoxyMethylene)-
methoxymethylenemalononitrileSCHEMBL1717333(methoxymethylidene)malononitrile(Methoxymethylidene)propanedinitrileAKOS026676790SY161188DS-012301NS00042802
Database identifiers
- CAS
672-81-1- PubChem CID
- 69599
- DTXSID
DTXSID50217484- EC Number
- 211-597-4
- Nikkaji
- J27.809B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 93 °C · 93 °C(Solv: ethanol (64-17-5); ligroine (8032-32-4))
- Boiling point
- 155 · 155-157 °C(Press: 15 Torr)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H317-H334
- Precautionary statements
- 280 · P280-P284-P301+P310
- HS Code
- 2926907090 · 2926907090
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Hazard statements
- H301-H317-H334
- Precautionary statements
- P280-P284-P301+P310
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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