2,7-Dimethyl-2,7-octanedicarbonitrile
Basic information
- CAS
13865-25-3- Standard SMILES
CC(C)(C#N)CCCCC(C)(C)C#N- InChIKey
MZLDHJUKJGFOQQ-UHFFFAOYSA-N- Molecular formula
- C12H20N2
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.16264865
Names & identifiers
- Preferred name
- 2,7-Dimethyl-2,7-octanedicarbonitrile
- IUPAC
- 2,2,7,7-tetramethyloctanedinitrile
- English name
- 2,2,7,7-tetramethyloctanedinitrile
- Molecular formula
- C12H20N2
- Molecular weight
- 192.3006
Names & synonyms
2,7-DIMETHYL-2,7-OCTANEDICARBONITRILERefChem:445981662-839-413865-25-32,2,7,7-tetramethyloctanedinitrileNSC99244DTXSID90295009NSC-99244AKOS024339960
Database identifiers
- CAS
13865-25-3- PubChem CID
- 264244
- DTXSID
DTXSID90295009- EC Number
- 662-839-4
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- 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 38 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
Suppliers
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Related reactions
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Compound notes
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