2,6-Dicyanotoluene - CAS 2317-22-8
Catalog: |
BB017968 |
Product Name: |
2,6-Dicyanotoluene |
CAS: |
2317-22-8 |
Synonyms: |
2-methylbenzene-1,3-dicarbonitrile |
IUPAC Name: | 2-methylbenzene-1,3-dicarbonitrile |
Description: | 2,6-Dicyanotoluene (CAS# 2317-22-8) is a useful research chemical. |
Molecular Weight: | 142.16 |
Molecular Formula: | C9H6N2 |
Canonical SMILES: | CC1=C(C=CC=C1C#N)C#N |
InChI: | InChI=1S/C9H6N2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,1H3 |
InChI Key: | SVQCNROYIFLAMR-UHFFFAOYSA-N |
Boiling Point: | 125-130 ℃2 mmHg (lit.) |
Melting Point: | 135-137 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.12 g/cm3 |
Appearance: | Brown powder |
MDL: | MFCD00012285 |
LogP: | 1.73836 |
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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3831819-A1 | Heterocyclic compound and organic light-emitting device including the same | 20191202 |
US-2021167299-A1 | Heterocyclic compound and organic light-emitting device including the same | 20191202 |
US-2021167303-A1 | Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound | 20191128 |
KR-20210045339-A | Cyano-substituted polycyclic compounds | 20191016 |
US-2021104691-A1 | Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device | 20190926 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.053098200 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 47.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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