3,6-Dioctyloxy-1,2-benzenedicarbonitrile
Basic information
- CAS
75942-39-1- Standard SMILES
CCCCCCCCOc1ccc(OCCCCCCCC)c(C#N)c1C#N- InChIKey
GKGPSCRTAALNMD-UHFFFAOYSA-N- Molecular formula
- C24H36N2O2
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 384.2776784
Names & identifiers
- Preferred name
- 3,6-Dioctyloxy-1,2-benzenedicarbonitrile
- IUPAC
- 3,6-dioctoxybenzene-1,2-dicarbonitrile
- English name
- 3 6-Dioctyloxy-1 2-benzenedicarbonitril&
- Molecular formula
- C24H36N2O2
- Molecular weight
- 384.55
Names & synonyms
3,6-Dioctyloxy-1,2-benzenedicarbonitrileRefChem:487620633-316-875942-39-13,6-Dioctyloxyphthalonitrile3,6-Bis(octyloxy)phthalonitrile3,6-dioctoxybenzene-1,2-dicarbonitrilestarbld00093751,2-Benzenedicarbonitrile,3,6-bis(octyloxy)-DTXSID80398972AKOS015916536F84049
Show more names
3,6-Dioctyloxy-1,2-phenylenedicarbonitrile1,2-Benzenedicarbonitrile, 3,6-bis(octyloxy)-
3,6-dioctoxyphthalonitrile3,6-BIS(OCTYLOXY)BENZENE-1,2-DICARBONITRILE3 6-DIOCTYLOXY-1 2-BENZENEDICARBONITRIL&MFCD00829230AS-87975CS-0434263F763175
Database identifiers
- CAS
75942-39-1- PubChem CID
- 4067375
- DTXSID
DTXSID80398972- EC Number
- 633-316-8
- Nikkaji
- J1.167.042C
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 537.6 · 537.6±50.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302-H332
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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. 4 (100%)
Safety data
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H312-H302-H332
- Precautionary statements
- P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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