4-(Cyanomethyl)phthalonitrile - CAS 1000540-60-2
Catalog: |
BB000047 |
Product Name: |
4-(Cyanomethyl)phthalonitrile |
CAS: |
1000540-60-2 |
Synonyms: |
4-(cyanomethyl)benzene-1,2-dicarbonitrile; 4-(cyanomethyl)benzene-1,2-dicarbonitrile |
IUPAC Name: | 4-(cyanomethyl)benzene-1,2-dicarbonitrile |
Description: | 4-(Cyanomethyl)phthalonitrile (CAS# 1000540-60-2 ) is a useful research chemical. |
Molecular Weight: | 167.17 |
Molecular Formula: | C10H5N3 |
Canonical SMILES: | C1=CC(=C(C=C1CC#N)C#N)C#N |
InChI: | InChI=1S/C10H5N3/c11-4-3-8-1-2-9(6-12)10(5-8)7-13/h1-2,5H,3H2 |
InChI Key: | DNTJEZLMBRPHMI-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
Publication Number | Title | Priority Date |
CN-113418746-A | Medicine detecting and sampling device | 20210629 |
KR-101112574-B1 | Phthalonitrile derivatives | 20041222 |
KR-101198861-B1 | Cyanostilbene-based organic light emitting compound and organic light emitting device using the same | 20041222 |
KR-20060071550-A | Cyanostilbene-based organic light emitting compound and organic light emitting device using the same | 20041222 |
KR-20060071551-A | Phthalonitrile derivatives | 20041222 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.048347172 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.048347172 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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