Dodecanedinitrile
Basic information
- CAS
4543-66-2- Standard SMILES
N#CCCCCCCCCCCC#N- InChIKey
AVQYXBDAZWIFTO-UHFFFAOYSA-N- Molecular formula
- C12H20N2
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.16264865
Names & identifiers
- Preferred name
- Dodecanedinitrile
- IUPAC
- dodecanedinitrile
- English name
- Dodecanedinitrile
- Molecular formula
- C12H20N2
- Molecular weight
- 192.3
Names & synonyms
Dodecanedinitrile4543-66-21,10-DicyanodecaneDecamethylenedinitrileDodecanodinitrile1,10-Decanedicarbonitrile1,12-Dodecanedinitrile1,10-DecamethylenedinitrileEINECS 224-899-6BRN 1757752Dodecamethylene dinitrileDTXSID00196513
Show more names
sebacic dinitrile1,10-DICYANODECANE 97%DECAMETHYLENE DICYANIDE
4-02-00-02127 (Beilstein Handbook Reference)NSC 59852RefChem:135420DTXCID40119004224-899-6AVQYXBDAZWIFTO-UHFFFAOYSA-NdodecandinitrilMFCD00013818
Database identifiers
- CAS
4543-66-2- PubChem CID
- 78301
- DTXSID
DTXSID00196513- UNII
- 7KEQ6AXV7A
- EC Number
- 224-899-6
- Nikkaji
- J47.613G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 21 °C · 21°C
- Boiling point
- 195 °C · 195°C 8mm
- Density
- 0 · 0,898 g/cm3
- refractive index
- 1.451 · 1.4510
- Flash point
- 202 °C · 202°C
- storage temp.
- Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Water Solubility
- Insoluble in water.
- BRN
- 1757752 · 1757752
- CAS DataBase Reference
- 4543 · 4543-66-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
Regulatory InformationDODECANEDINITRILE: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- rtecs
- JR2350000
- ridadr
- 3276
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesThe Dodecanedinitrile could react with C-tert-butoxy-tetra-N-methyl-methanediamine to obtain the 2-(Dimethylaminomethylen)dodecansaeuredinitril.
Related reactions
2 records
Compound notes
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