O-4-Nitrobenzylhydroxylamine Hydrochloride - ≥98% , CAS No.2086-26-2

CAS: 2086-26-2 Cat. No.: O133067 Molecular Weight: 204.61 Beilstein Registry Number: 6(2)426 EC Number: 218-228-6

GRADE & PURITY ≥98%

Synonyms

o-(4-nitrobenzyl) hydroxylamine hydrochloride | BDBM50146446 | O-nitrobenzylhydroxylamine | 2-Pentyl alcohol | O-4-NITROBENZYLHYDROXYLAMINE HCL [FOR HPLC LABELING] | EINECS 218-228-6 | O-(4-NITROBENZYL)HYDROXYLAMINEHYDROCHLORIDE | 1-[(aminooxy)methyl]-4-n

Storage

Protected from light,Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

A reagent for the preparation of N-(4-nitrobenzyloxy)-amino acids as substrates for an unambiguous N-hydroxypeptide synthesis.

Specifications

Synonyms

o-(4-nitrobenzyl) hydroxylamine hydrochloride | BDBM50146446 | O-nitrobenzylhydroxylamine | 2-Pentyl alcohol | O-4-NITROBENZYLHYDROXYLAMINE HCL [FOR HPLC LABELING] | EINECS 218-228-6 | O-(4-NITROBENZYL)HYDROXYLAMINEHYDROCHLORIDE | 1-[(aminooxy)methyl]-4-n

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CON)[N+](=O)[O-].Cl
• IUPAC Name: O-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
• InChIKey: LKCAFSOYOMFQSL-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O3.ClH/c8-12-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H
• Isomeric SMILES: C1=CC(=CC=C1CON)[N+](=O)[O-].Cl
• RTECS: NC4400050
• Molecular Weight: 204.61
• Beilstein: 6(2)426
• Reaxy-Rn: 3709565
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3709565&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive,air sensitive；light sensitive
• Melt Point(°C): 210 °C(dec.)
• Molecular Weight: 204.610 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 204.03 Da
• Monoisotopic Mass: 204.03 Da
• Topological Polar Surface Area: 81.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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