2-Methylpentanenitrile
Basic information
- CAS
6339-13-5- Standard SMILES
CCCC(C)C#N- InChIKey
FHBWGXDQIOWTCK-UHFFFAOYSA-N- Molecular formula
- C6H11N
- Average molar mass
- 97.16 g/mol
Names & identifiers
- Preferred name
- 2-Methylpentanenitrile
- IUPAC
- 2-methylpentanenitrile
- English name
- 2,4-Dimethylvaleronitrile
- Molecular formula
- C6H11N
- Molecular weight
- 97.16
Names & synonyms
2-methylpentanenitrileRefChem:476151871-608-96339-13-5Pentanenitrile, 2-methyl-Pentanenitrile, methyl-methylvaleronitrileNSC38217876295-65-7SCHEMBL388090SCHEMBL533334SCHEMBL2425724
Show more names
Valproic Acid Impurity 862,4-DimethylvaleronitrileAcetylsalicylic Acid（Aspirin）-d3
SCHEMBL2534431SCHEMBL5495572SCHEMBL7982862SCHEMBL8011377DTXSID50284671DTXSID901350518NSC-38217AKOS009460499
Database identifiers
- CAS
6339-13-5、876295-65-7- PubChem CID
- 236146
- DTXSID
DTXSID50284671- EC Number
- 871-608-9
- Nikkaji
- J1.013.710A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 77.4
Physicochemical properties
- Melting point
- -32.8 °C · -32.8°C (estimate)
- Boiling point
- 147.15 °C · 147.15°C
- Density
- 0.789 · 0.7890
- refractive index
- 1.3979 · 1.3979
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- Hazard statements
- H226-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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