2-Nitrocyclohexanone - CAS 4883-67-4
Catalog: |
BB026600 |
Product Name: |
2-Nitrocyclohexanone |
CAS: |
4883-67-4 |
Synonyms: |
2-nitrocyclohexan-1-one |
IUPAC Name: | 2-nitrocyclohexan-1-one |
Description: | 2-Nitrocyclohexanone (CAS# 4883-67-4) is a useful research chemical. |
Molecular Weight: | 143.14 |
Molecular Formula: | C6H9NO3 |
Canonical SMILES: | C1CCC(=O)C(C1)[N+](=O)[O-] |
InChI: | InChI=1S/C6H9NO3/c8-6-4-2-1-3-5(6)7(9)10/h5H,1-4H2 |
InChI Key: | SZNILIWUUKKNPE-UHFFFAOYSA-N |
Boiling Point: | 272.7 °C at 760 mmHg |
Density: | 1.19 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00001627 |
LogP: | 1.29800 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109053455-A | A kind of α-nitro-alpha-aryl ketones compounds synthetic method | 20180803 |
CN-109232521-A | A kind of synthetic method synthesizing Tiletamine midbody compound and Tiletamine | 20180803 |
CN-207685172-U | A kind of adipic acid production nitrogen oxides impurity removed system | 20171220 |
CN-108927219-A | Simultaneously catalytic oxidation of cyclic ketone class prepares lactone compound to green high-efficient synthesis metalloporphyrin conjugated polymer | 20170525 |
CN-106632200-A | Synthesis method of alpha-nitrocycloalkanone | 20160930 |
PMID | Publication Date | Title | Journal |
22928812 | 20120907 | Asymmetric Michael additions of α-nitrocyclohexanone to aryl nitroalkenes catalyzed by natural amino acid-derived bifunctional thioureas | Organic letters |
22171638 | 20120120 | Effect of ring size on the tautomerization and ionization reaction of cyclic 2-nitroalkanones: an experimental and theoretical study | The Journal of organic chemistry |
19637884 | 20090904 | The base-catalyzed keto-enol interconversion of 2-nitrocyclohexanone in ionic liquids | The Journal of organic chemistry |
18972056 | 20081121 | Solvent effects on the rate of the keto-enol interconversion of 2-nitrocyclohexanone | Organic & biomolecular chemistry |
17451273 | 20070525 | Ionization and tautomerization of 2-nitrocyclohexanone in aqueous solution | The Journal of organic chemistry |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.058243149 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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