5-methoxy-2-nitrobenzaldehyde - CAS 20357-24-8
Catalog: |
BB015828 |
Product Name: |
5-methoxy-2-nitrobenzaldehyde |
CAS: |
20357-24-8 |
Synonyms: |
5-methoxy-2-nitrobenzaldehyde; 5-methoxy-2-nitrobenzaldehyde |
IUPAC Name: | 5-methoxy-2-nitrobenzaldehyde |
Description: | 5-methoxy-2-nitrobenzaldehyde (CAS# 20357-24-8) is a starting material used to synthesize a novel class of cis-locked combretastatins named combretabenzodiazepines which shows cytotoxic and antitubulin activity. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | COC1=CC(=C(C=C1)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C8H7NO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5H,1H3 |
InChI Key: | BNTDDWPHSMILHQ-UHFFFAOYSA-N |
Boiling Point: | 354.7 ℃ at 760 mmHg |
Purity: | ≥ 96 % |
Density: | 1.322 g/cm3 |
Appearance: | Light yellow solid |
MDL: | MFCD00456498 |
LogP: | 1.93910 |
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-107522766-B | Ursolic acid quinolyl hydrazide derivatives with anti-tumor activity and preparation method and application thereof | 20170821 |
US-10266482-B2 | Long-term memory inducing agent | 20170512 |
US-2018327348-A1 | Long-term memory inducing agent | 20170512 |
CA-3039832-A1 | Pyrrolobenzodiazepine conjugates | 20161014 |
CA-3039832-C | Pyrrolobenzodiazepine conjugates | 20161014 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.03750770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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