3-Hydroxy-4-nitrobenzaldehyde - CAS 704-13-2
Catalog: |
BB034151 |
Product Name: |
3-Hydroxy-4-nitrobenzaldehyde |
CAS: |
704-13-2 |
Synonyms: |
3-hydroxy-4-nitrobenzaldehyde |
IUPAC Name: | 3-hydroxy-4-nitrobenzaldehyde |
Description: | 3-Hydroxy-4-nitrobenzaldehyde (CAS# 704-13-2) is used in preparation of heteroaryl amine derivatives as diacylglycerol acyltransferase 2 inhibitors. |
Molecular Weight: | 167.12 |
Molecular Formula: | C7H5NO4 |
Canonical SMILES: | C1=CC(=C(C=C1C=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H |
InChI Key: | AUBBVPIQUDFRQI-UHFFFAOYSA-N |
Boiling Point: | 303.3 °C at 760 mmHg |
Melting Point: | 127-131 °C |
Purity: | 99 % |
Density: | 1.5 g/cm3 |
LogP: | 1.63610 |
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-113336728-A | Carbon monoxide fluorescent micelle probe and application | 20210412 |
CN-112409231-A | Acylthiourea neuraminidase inhibitor and preparation and application thereof | 20201116 |
WO-2021203016-A2 | Protein-protein interaction stabilizers | 20200403 |
KR-20210081286-A | Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133035-A1 | Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof | 20191223 |
PMID | Publication Date | Title | Journal |
22126279 | 20120106 | Stereocontrolled synthesis of an indole moiety of sespendole and stereochemical assignment of the side chain | Organic letters |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.02185764 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.02185764 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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