4-Methyl-3-nitrobenzonitrile - CAS 939-79-7
Catalog: |
BB041148 |
Product Name: |
4-Methyl-3-nitrobenzonitrile |
CAS: |
939-79-7 |
Synonyms: |
4-methyl-3-nitrobenzonitrile |
IUPAC Name: | 4-methyl-3-nitrobenzonitrile |
Description: | 4-Methyl-3-nitrobenzonitrile (CAS# 939-79-7) is a compound useful in organic synthesis. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | CC1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,1H3 |
InChI Key: | KOFBNBCOGKLUOM-UHFFFAOYSA-N |
Boiling Point: | 171 ℃ / 12 mmHg |
Melting Point: | 102-106 ℃ |
Purity: | 95 % |
Density: | 1.26 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00031482 |
LogP: | 2.29808 |
GHS Hazard Statement: | H302 (11.11%): 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 |
CN-112599482-A | Semiconductor structure | 20190917 |
US-11081447-B2 | Graphene-assisted low-resistance interconnect structures and methods of formation thereof | 20190917 |
US-2021082832-A1 | Graphene-Assisted Low-Resistance Interconnect Structures and Methods of Formation Thereof | 20190917 |
CN-112510014-A | Internal connection structure | 20190916 |
US-2021082829-A1 | Graphene Barrier Layer | 20190916 |
PMID | Publication Date | Title | Journal |
21201109 | 20080906 | 4-Methyl-3-nitro-benzonitrile | Acta crystallographica. Section E, Structure reports online |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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