Methylterephthalonitrile - CAS 55984-93-5
Catalog: |
BB029230 |
Product Name: |
Methylterephthalonitrile |
CAS: |
55984-93-5 |
Synonyms: |
2-methylbenzene-1,4-dicarbonitrile |
IUPAC Name: | 2-methylbenzene-1,4-dicarbonitrile |
Description: | Methylterephthalonitrile (CAS# 55984-93-5) is a useful research chemical. |
Molecular Weight: | 142.16 |
Molecular Formula: | C9H6N2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C#N)C#N |
InChI: | InChI=1S/C9H6N2/c1-7-4-8(5-10)2-3-9(7)6-11/h2-4H,1H3 |
InChI Key: | UJXAVMZSVIODSH-UHFFFAOYSA-N |
MDL: | MFCD00119249 |
LogP: | 1.73836 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112023981-A | Covalent triazine organic framework material and preparation method and application thereof | 20200927 |
CN-112979414-A | Method for preparing aromatic compound from lignin | 20191213 |
KR-20210045339-A | Cyano-substituted polycyclic compounds | 20191016 |
CN-111250162-A | Solid base catalyst, and preparation method and application thereof | 20181130 |
US-2020031812-A1 | Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound | 20180720 |
Complexity: | 226 |
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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