4,5-Dioctyloxy-1,2-benzenedicarbonitrile - CAS 118132-11-9
Catalog: |
BB004054 |
Product Name: |
4,5-Dioctyloxy-1,2-benzenedicarbonitrile |
CAS: |
118132-11-9 |
Synonyms: |
4,5-dioctoxybenzene-1,2-dicarbonitrile |
IUPAC Name: | 4,5-dioctoxybenzene-1,2-dicarbonitrile |
Description: | 4,5-Dioctyloxy-1,2-benzenedicarbonitrile (CAS# 118132-11-9 ) is a useful research chemical. |
Molecular Weight: | 384.55 |
Molecular Formula: | C24H36N2O2 |
Canonical SMILES: | CCCCCCCCOC1=C(C=C(C(=C1)C#N)C#N)OCCCCCCCC |
InChI: | InChI=1S/C24H36N2O2/c1-3-5-7-9-11-13-15-27-23-17-21(19-25)22(20-26)18-24(23)28-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3 |
InChI Key: | SSVVHLRGCJLWCP-UHFFFAOYSA-N |
Boiling Point: | 529.3 °C at 760 mmHg |
Melting Point: | 106-108 °C(lit.) |
Purity: | 95 % |
Density: | 1 g/cm3 |
Appearance: | White to green to brown powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00274338 |
LogP: | 6.90856 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
CN-102863448-B | A kind of Effects of Soluble Phthalocyanines, its preparation method and a kind of OTFT | 20120919 |
WO-2014043860-A1 | Soluble phthalocyanine compound and preparation method thereof, and organic thin film transistor | 20120919 |
JP-2002226482-A | Method for producing phthalocyanines | 20010202 |
Complexity: | 432 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 384.277678395 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 384.277678395 |
Rotatable Bond Count: | 16 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.1 |
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