O-(3-Chloro-2-propenyl)hydroxylamine HCl - ≥95% , CAS No.96992-71-1

CAS: 96992-71-1 Cat. No.: O305044 Molecular Weight: 144 EC Number: 967-867-3

GRADE & PURITY ≥95%

Synonyms

Hydroxylamine, O-(3-chloro-2-propenyl)-, hydrochloride | (E)-O-(3-CHLOROALLYL)HYDROXYLAMINE HCL | DTXSID10888770 | AKOS016010443 | C3H7Cl2NO | EN300-215782 | SCHEMBL2930765 | Hydroxylamine, O-[(2E)-3-chloro-2-propenyl]-, hydrochloride | O-[(2E)-3-CHLOROPR

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

Hydroxylamine, O-(3-chloro-2-propenyl)-, hydrochloride | (E)-O-(3-CHLOROALLYL)HYDROXYLAMINE HCL | DTXSID10888770 | AKOS016010443 | C3H7Cl2NO | EN300-215782 | SCHEMBL2930765 | Hydroxylamine, O-[(2E)-3-chloro-2-propenyl]-, hydrochloride | O-[(2E)-3-CHLOROPR

Specifications & Purity

≥95%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(C=CCl)ON.Cl
• IUPAC Name: O-[(E)-3-chloroprop-2-enyl]hydroxylamine;hydrochloride
• InChIKey: GZDAGPDHXQKVHK-TYYBGVCCSA-N
• INCHI: 1S/C3H6ClNO.ClH/c4-2-1-3-6-5;/h1-2H,3,5H2;1H/b2-1+
• Isomeric SMILES: C(/C=C/Cl)ON.Cl
• Molecular Weight: 144
• Reaxy-Rn: 8394320
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8394320&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Organooxygen compounds Organochlorides Organic nitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organochloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
• 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

Chemical and Physical Properties

• Melt Point(°C): 135-145 ºC (dec.)
• Molecular Weight: 144.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.99 Da
• Monoisotopic Mass: 142.99 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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