2-Methylpropanedinitrile
Basic information
- CAS
3696-36-4- Standard SMILES
CC(C#N)C#N- InChIKey
LXUTYOVUICAOGH-UHFFFAOYSA-N- Molecular formula
- C4H4N2
- Average molar mass
- 80.09 g/mol
- Monoisotopic mass
- 80.03744814
Names & identifiers
- Preferred name
- 2-Methylpropanedinitrile
- IUPAC
- 2-methylpropanedinitrile
- English name
- 2-Methylmalononitrile
- Molecular formula
- C4H4N2
- Molecular weight
- 80.09
Names & synonyms
2-methylpropanedinitrileRefChem:476189843-211-02-Methylmalononitrile3696-36-4Methylmalononitrile1,1-DicyanoethaneMethylpropanedinitrileMALONONITRILE, METHYL-Propanedinitrile, methyl-Methyl-malonitrilMethyl-malonitril [German]
Show more names
2-METHYLMALONITRILEmethyl-malononitril
BRN 17377532-Methylmalononitril2-Methylmalononitrile #SCHEMBL114673SCHEMBL114674SCHEMBL194647SCHEMBL3080995DTXSID00958138
Database identifiers
- CAS
3696-36-4- PubChem CID
- 19425
- DTXSID
DTXSID00958138- EC Number
- 843-211-0
- Nikkaji
- J102.109E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 36 · 36-37 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 90 · 90-100 °C(Press: 15 Torr)
- Density
- 0.98 · 0.980±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H331-H319-H315-H335-H311
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P361-P363-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]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS06
- Hazard statements
- H301-H331-H319-H315-H335-H311
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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