Basic information
- CAS
2826-32-6- Standard SMILES
N#CC(C#N)=Cc1cccc([N+](=O)[O-])c1- InChIKey
UQMJZLGIKHAOQZ-UHFFFAOYSA-N- Molecular formula
- C10H5N3O2
- Average molar mass
- 199.17 g/mol
- Monoisotopic mass
- 199.03817641
Names & identifiers
- Preferred name
- Malononitrile, (m-nitrobenzylidene)-
- IUPAC
- 2-[(3-nitrophenyl)methylidene]propanedinitrile
- English name
- 2-(3-Nitrobenzylidene)propanedinitrile
- Molecular formula
- C10H5N3O2
- Molecular weight
- 199.17
Names & synonyms
2826-32-6m-NitrobenzylidenemalononitrileMALONONITRILE, (m-NITROBENZYLIDENE)-3-Nitrobenzylidene malononitrileTL 240NSC 491Propanedinitrile, ((3-nitrophenyl)methylene)-3-NitrobenzylidenemalononitrileBRN 1960457DTXSID40182511Propanedinitrile, [(3-nitrophenyl)methylene]-RefChem:800804
Show more names
2-(m-Nitrobenzylidene)malononitrile(3-nitrobenzylidene)propanedinitrile2-(3-Nitrobenzylidene)propanedinitrile[(3-Nitrophenyl)methylene]malononitrilePropanedinitrile, 2-[(3-nitrophenyl)methylene]-
DTXCID80105002Propanedinitrile, ((3-nitrophenyl)methylene)-(9CI)684-220-82-(3-Nitrobenzylidene)malononitrile(3-Nitrobenzylidene)malononitrile2-[(3-nitrophenyl)methylidene]propanedinitrileG88X87U5GN2-[(3-nitrophenyl)methylene]propanedinitrile
Database identifiers
- CAS
2826-32-6- PubChem CID
- 17797
- DTXSID
DTXSID40182511
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 106.6 · 106.6-107.0 °C
- Boiling point
- 380 · 380.0±32.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- FDA UNII
- 88 X87U5GN · G88X87U5GN
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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