Acetoxime - ≥98% , CAS No.127-06-0

CAS: 127-06-0 Cat. No.: A112746 Formula: C₃H₇NO Molecular Weight: 73.09 Beilstein Registry Number: 1560146 EC Number: 204-820-1

GRADE & PURITY ≥98%

Synonyms

ACETOXIME [MI] | MFCD00002118 | N-propan-2-ylidenehydroxylamine | Propane-2-one oxime | J-005459 | ACETONE-OXIME | A805635 | NSC7601 | NSC-7601 | 2-Propanone oxime | STL185580 | C01995 | QX74TFD64T | UNII-QX74TFD64T | Acetone oxime | Acetone oxime, Vetec(

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

ACETOXIME [MI] | MFCD00002118 | N-propan-2-ylidenehydroxylamine | Propane-2-one oxime | J-005459 | ACETONE-OXIME | A805635 | NSC7601 | NSC-7601 | 2-Propanone oxime | STL185580 | C01995 | QX74TFD64T | UNII-QX74TFD64T | Acetone oxime | Acetone oxime, Vetec(

Specifications & Purity

≥98%

Storage

Room temperature,Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504754132

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754132

Canonical Smiles

CC(=NO)C

IUPAC Name

N-propan-2-ylidenehydroxylamine

InChIKey

PXAJQJMDEXJWFB-UHFFFAOYSA-N

INCHI

1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3

Isomeric SMILES

CC(=NO)C

WGK Germany

3

RTECS

AL6825000

Molecular Weight

73.09

Beilstein

1560146

Reaxy-Rn

969234

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969234&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: Ketoximes
• Alternative Parents: Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketoxime - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketoximes. These are organic compounds with the general formula RC(R')=NOH (R,R' = organyl).
• External Descriptors: a small molecule

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 (330 g/L at 20°C).
• Refractive Index: 1.4156
• Boil Point(°C): 134.8°C
• Melt Point(°C): 60°C
• Molecular Weight: 73.090 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 73.0528 Da
• Monoisotopic Mass: 73.0528 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 44.900
• 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: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 127-06-0, the molecular formula is C3H7NO, and the molecular weight is 73.09 g/mol. InChIKey PXAJQJMDEXJWFB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.