4,5-Dimethoxy-2-nitrobenzoic acid - CAS 4998-07-6
Catalog: |
BB026876 |
Product Name: |
4,5-Dimethoxy-2-nitrobenzoic acid |
CAS: |
4998-07-6 |
Synonyms: |
Benzoic acid, 4,5-dimethoxy-2-nitro-; Veratric acid, 6-nitro-; 2-Nitro-4,5-dimethoxybenzoic acid; 3,4-Dimethoxy-6-nitrobenzoic acid; 6-Nitroveratric acid |
Related CAS: | 114875-04-6 (Deleted CAS)
|
IUPAC Name: | 4,5-dimethoxy-2-nitrobenzoic acid |
Molecular Weight: | 227.17 |
Molecular Formula: | C9H9NO6 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC |
InChI: | InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12) |
InChI Key: | WWCMFGBGMJAJRX-UHFFFAOYSA-N |
Boiling Point: | 409.5±45.0°C at 760 mmHg |
Melting Point: | 187-188°C |
Purity: | 95% |
Density: | 1.403±0.06 g/cm3 |
Appearance: | Yellow crystalline powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00014697 |
LogP: | 1.83340 |
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-113200861-A | Novel preparation method and application of 6-nitroveratric acid | 20210506 |
CN-112812016-A | Method for preparing 6-nitro veratric acid from veratric acid by using microchannel reactor | 20210114 |
CN-112171831-A | Wood protective agent and preparation and use methods thereof | 20201022 |
CN-112171831-B | Wood protective agent and preparation and use methods thereof | 20201022 |
CN-112047933-A | Quinazolinone USP7 inhibitor and preparation method and application thereof | 20201015 |
PMID | Publication Date | Title | Journal |
22249211 | 20120301 | Photorelease of tyrosine from α-carboxy-6-nitroveratryl (αCNV) derivatives | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
20536152 | 20100702 | Alpha-carboxy-6-nitroveratryl: a photolabile protecting group for carboxylic acids | The Journal of organic chemistry |
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: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.04298701 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.04298701 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 102 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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