Malononitrile, furfurylidene-
Basic information
- CAS
3237-22-7- Standard SMILES
N#CC(C#N)=Cc1ccco1- InChIKey
CRUJHLHRJSNZIU-UHFFFAOYSA-N- Molecular formula
- C8H4N2O
- Average molar mass
- 144.13 g/mol
- Monoisotopic mass
- 144.03236276
Names & identifiers
- Preferred name
- Malononitrile, furfurylidene-
- IUPAC
- 2-(furan-2-ylmethylidene)propanedinitrile
- English name
- (2-Furanylmethylene)malononitrile
- Molecular formula
- C8H4N2O
- Molecular weight
- 144.13
Names & synonyms
3237-22-7FurfurylidenemalononitrileFurfural-malonitril2-FurfurylidenemalononitrileMALONONITRILE, FURFURYLIDENE-1,1-Dicyano-2-(2-furyl)ethyleneFurfural-malonitril [German]RGW 904NSC 1333F 2375Propanedinitrile, (2-furanylmethylene)-DTXSID90186084
Show more names
f2375rgw904AKOS USSH-4110242RARECHEM AL BX 0007furfurylidene-malononitril
RefChem:800806DTXCID00108575Propanedinitrile, (2-furanylmethylene)-(9CI)(2-Furanylmethylene)malononitrile2-(Furan-2-ylmethylene)malononitrile2-(furan-2-ylmethylidene)propanedinitrile2-(2-Furylmethylene)malononitrileL7FT4U2XXU
Database identifiers
- CAS
3237-22-7- PubChem CID
- 18606
- DTXSID
DTXSID90186084- ChEMBL
CHEMBL300341- UNII
- L7FT4U2XXU
- EC Number
- 623-628-2
- Nikkaji
- J150.470C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
LogP1.5
Physicochemical properties
- Melting point
- 70 · 70-74 °C(lit.)
- Boiling point
- 264.6 · 264.6±25.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- FDA UNII
- 7 FT4U2XXU · L7FT4U2XXU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302-H312
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- RTECS
- 4090000 · OO4090000
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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
- rtecs
- OO4090000
- hs_code
- 29321900
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H332-H302-H312
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
Loading…