Acetaldoxime - ≥99% , CAS No.107-29-9

CAS: 107-29-9 Cat. No.: A108687 Molecular Weight: 59.07 Beilstein Registry Number: 1608 EC Number: 203-479-6

GRADE & PURITY ≥99%

Synonyms

CHEBI:50718 | G2YQ9T90UB | SR-01000075538 | trans-Acetaldehyde oxime | (5-(Propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester | SpecPlus_000594 | Acetaldoxime, syn + anti | CCRIS 1379 | UN2332 | ACETALDEHYDE OXIME | (NE)-N-ethylidenehydroxylamine

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

CHEBI:50718 | G2YQ9T90UB | SR-01000075538 | trans-Acetaldehyde oxime | (5-(Propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester | SpecPlus_000594 | Acetaldoxime, syn + anti | CCRIS 1379 | UN2332 | ACETALDEHYDE OXIME | (NE)-N-ethylidenehydroxylamine

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488195351
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195351
• Canonical Smiles: CC=NO
• IUPAC Name: (NE)-N-ethylidenehydroxylamine
• InChIKey: FZENGILVLUJGJX-NSCUHMNNSA-N
• INCHI: 1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+
• Isomeric SMILES: C/C=N/O
• WGK Germany: 1
• RTECS: AB2975000
• UN Number: 2332
• Packing Group: III
• Molecular Weight: 59.07
• Beilstein: 1608
• Reaxy-Rn: 1209252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209252&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Oximes

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Oximes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aldoximes
• Alternative Parents: Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aldoxime - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as aldoximes. These are organic compounds with the general formula RC(H)=NOH (R = organyl).
• External Descriptors: acetaldehyde oxime

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

• Solubility: Soluble in water, ethanol and ether.
• Refractive Index: 1.425-1.127
• Flash Point(°F): 104 °F
• Flash Point(°C): 38℃
• Boil Point(°C): 114.5°C
• Melt Point(°C): 46.5°C
• Molecular Weight: 59.070 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 59.0371 Da
• Monoisotopic Mass: 59.0371 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 25.200
• 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: 1

References

1. Yingcai Wang, Xue Dong, Yunhai Liu, Yuhui Liu, Xiaohong Cao, Jing Chen, Chao Xu.  (2020)  Electrochemical and spectrochemical analysis of U(VI) reduction in nitric acid solutions.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.jelechem.2020.114482]