(Benzene-1,3,5-triyl)triacetonitrile
| Catalog Number | Size | Price | Stock | Quantity |
|---|---|---|---|---|
| BPM-350640 | 500 mg | $1099 | In stock |
Product Information
Molecular Formula
C12H9N3
Molecular Weight
195.22
Description
(Benzene-1,3,5-triyl)triacetonitrile (CAS# 80935-59-7 ) is a useful research chemical.
Synonyms
1,3,5-Benzenetriacetonitrile; 1,3,5-Benzenetrisacetonitrile
IUPAC Name
2-[3,5-bis(cyanomethyl)phenyl]acetonitrile
SMILES
C1=C(C=C(C=C1CC#N)CC#N)CC#N
InChI
InChI=1S/C12H9N3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h7-9H,1-3H2
InChI Key
QEIMSNKURDQYSE-UHFFFAOYSA-N
Purity
98%
Safety Information
Hazards
H301+H311+H331-H315-H319
Precautionary Statement
P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Safety Class
6.1
GHS Pictogram
GHS06
Signal Word
Danger
Computed Properties
XLogP3
0.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
195.0796473
Monoisotopic Mass
195.0796473
Topological Polar Surface Area
71.4
Heavy Atom Count
15
Formal Charge
0
Complexity
276
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113717397-A | Preparation method of metal cluster-based crystalline porous material | 2021-09-02 |
| KR-102062869-B1 | Water-soluble organic photocatalyst and water splitting hydrogen evolution photocatalytic system using the same | 2018-04-11 |
| KR-20190118902-A | Water-soluble organic photocatalyst and water splitting hydrogen evolution photocatalytic system using the same | 2018-04-11 |
| WO-2019198921-A1 | Water-soluble organic photocatalyst and photocatalyst system for generating hydrogen by water splitting using same | 2018-04-11 |
| JP-2014205620-A | Tristilbene derivative, electrophotographic photosensitive member and electrophotographic apparatus | 2013-04-10 |
| WO-2010020312-A1 | Mesogenic compounds comprising discotic and calamitic groups | 2008-08-18 |
| US-2009291989-A1 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | 2006-07-06 |
| US-2015246887-A1 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | 2006-07-06 |
| US-8859798-B2 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | 2006-07-06 |
| US-9586907-B2 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | 2006-07-06 |
