4-Nitroindole - CAS 4769-97-5
Catalog: |
BB026363 |
Product Name: |
4-Nitroindole |
CAS: |
4769-97-5 |
Synonyms: |
4-nitro-1H-indole |
IUPAC Name: | 4-nitro-1H-indole |
Description: | 4-Nitroindole (CAS# 4769-97-5) is an intermediate for the preparation of indole compounds useful in treatment of pain, inflammation. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | C1=CC2=C(C=CN2)C(=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-5,9H |
InChI Key: | LAVZKLJDKGRZJG-UHFFFAOYSA-N |
Boiling Point: | 362.6 °C at 760 mmHg |
Density: | 1.425 g/cm3 |
MDL: | MFCD00010056 |
LogP: | 2.59930 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112778280-A | Anthraquinone natural product modified derivative | 20210108 |
CN-111560450-A | LAMP detection method for potato scab germs | 20200522 |
CN-111362857-A | Compound with indoline skeleton, preparation method and medical application thereof | 20200423 |
US-2021301175-A1 | Polishing composition | 20200330 |
US-2021299266-A1 | Compositions and methods of treating muscle dystrophy | 20200327 |
PMID | Publication Date | Title | Journal |
22069756 | 20110801 | Modes of action of microbially-produced phytotoxins | Toxins |
19467551 | 20090501 | The thaxtomin phytotoxins: sources, synthesis, biosynthesis, biotransformation and biological activity | Phytochemistry |
16637698 | 20060503 | Influence of thaxtomins in different combinations and concentrations on growth of micropropagated potato shoot cultures | Journal of agricultural and food chemistry |
Complexity: | 190 |
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: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 61.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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