2,6-Dimethyl-4-nitrophenol - CAS 2423-71-4
Catalog: |
BB018378 |
Product Name: |
2,6-Dimethyl-4-nitrophenol |
CAS: |
2423-71-4 |
Synonyms: |
2,6-dimethyl-4-nitrophenol |
IUPAC Name: | 2,6-dimethyl-4-nitrophenol |
Description: | 2,6-Dimethyl-4-nitrophenol (CAS# 2423-71-4) is a useful compound for the production and characterization of bio-oil from hardwood and softwood lignin. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=CC(=CC(=C1O)C)[N+](=O)[O-] |
InChI: | InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3 |
InChI Key: | FNORUNUDZNWQFF-UHFFFAOYSA-N |
Boiling Point: | 322.8 °C at 760 mmHg |
Density: | 1.263 g/cm3 |
MDL: | MFCD00007339 |
LogP: | 2.44040 |
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 |
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PMID | Publication Date | Title | Journal |
19692169 | 20091230 | Kinetics and mechanism of 2,6-dimethyl-aniline degradation by hydroxyl radicals | Journal of hazardous materials |
19143574 | 20090122 | Solvation of nitrophenol isomers: consequences for solute electronic structure and alkane/water partitioning | The journal of physical chemistry. B |
17583877 | 20071101 | Identification of estrogenic/anti-estrogenic compounds in diesel exhaust particulate extract | Biomedical chromatography : BMC |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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