2,4-Dinitrophenylhydroxylamine - CAS 17508-17-7
Catalog: |
BB013071 |
Product Name: |
2,4-Dinitrophenylhydroxylamine |
CAS: |
17508-17-7 |
Synonyms: |
O-(2,4-dinitrophenyl)hydroxylamine; O-(2,4-dinitrophenyl)hydroxylamine |
IUPAC Name: | O-(2,4-dinitrophenyl)hydroxylamine |
Description: | 2,4-Dinitrophenylhydroxylamine (CAS# 17508-17-7) is a rapid active-site-directed inhibitor of D-amino acid oxidase; modification results in specific incorporation of an amine group into an accessible nucleophilic residue with concomitant release of 2,4-dinitrophenol. |
Molecular Weight: | 199.12 |
Molecular Formula: | C6H5N3O5 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ON |
InChI: | InChI=1S/C6H5N3O5/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H,7H2 |
InChI Key: | YLACRFYIUQZNIV-UHFFFAOYSA-N |
Boiling Point: | 387.1 °C at 760 mmHg |
Density: | 1.602 g/cm3 |
LogP: | 2.50220 |
GHS Hazard Statement: | H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336751-A | High-efficiency salt-induced kinase inhibitor and preparation method thereof | 20210531 |
CN-111440169-A | Alkaloid nitrogen nitride derivative and preparation method thereof | 20200403 |
WO-2021179274-A1 | ErbB RECEPTOR INHIBITORS AS ANTI-TUMOR AGENTS | 20200313 |
WO-2021164735-A1 | Heteroaryl heterocyclic compounds and uses thereof | 20200220 |
WO-2021143701-A1 | Pyrimidine-4(3h)-ketone heterocyclic compound, preparation method therefor and use thereof in medicine and pharmacology | 20200119 |
PMID | Publication Date | Title | Journal |
12946163 | 20030905 | Highly efficient synthesis of O-(2,4-dinitrophenyl)hydroxylamine. Application to the synthesis of substituted N-benzoyliminopyridinium ylides | The Journal of organic chemistry |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.02292027 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.02292027 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 127 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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