2-Methoxy-5-nitrophenol - CAS 636-93-1
Catalog: |
BB032240 |
Product Name: |
2-Methoxy-5-nitrophenol |
CAS: |
636-93-1 |
Synonyms: |
2-methoxy-5-nitrophenol |
IUPAC Name: | 2-methoxy-5-nitrophenol |
Description: | 2-Methoxy-5-nitrophenol is used in the synthesis of potent VEGF and tyrosine kinase inhibitors. Also used in the synthesis of GABA analogues and phosphodiesterase inhibitors such as rolipram. |
Molecular Weight: | 169.13 |
Molecular Formula: | C7H7NO4 |
Canonical SMILES: | COC1=C(C=C(C=C1)[N+](=O)[O-])O |
InChI: | InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3 |
InChI Key: | KXKCTSZYNCDFFG-UHFFFAOYSA-N |
Boiling Point: | 110 °C (1 torr) |
Purity: | 98 % |
MDL: | MFCD00015561 |
LogP: | 1.83220 |
GHS Hazard Statement: | H302 (93.62%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
25460743 | 20150101 | Environmental fate of 2,4-dinitroanisole (DNAN) and its reduced products | Chemosphere |
21512931 | 20110101 | Simultaneous determination of three herbicides by differential pulse voltammetry and chemometrics | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes |
15723176 | 20050201 | Characterization of Rhodococcus wratislaviensis strain J3 that degrades 4-nitrocatechol and other nitroaromatic compounds | Antonie van Leeuwenhoek |
15702555 | 20040101 | Degradation of 5-nitroguaiacol by soil bacteria of the genus Rhodococcus | Folia microbiologica |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.03750770 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 75.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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