Butyraldoxime - ≥95%(GC) , CAS No.110-69-0

CAS: 110-69-0 Cat. No.: B152406 Formula: C₄H₉NO Molecular Weight: 87.12 EC Number: 203-792-8

GRADE & PURITY ≥95%(GC)

Synonyms

B0753 | propyl nitrone | n-Butyraldehyde oxime | CHEBI:59012 | Butylaldoxime | USAF AM-6 | Butanal, oxime | BUTYRALDOXIME | DTXSID2024664 | butanaldoxime | CH3(CH2)2CH=NOH | FT-0623344 | UN 2840 | D88680 | N-butylidenehydroxylamine | Butanal oxime # | But

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

B0753 | propyl nitrone | n-Butyraldehyde oxime | CHEBI:59012 | Butylaldoxime | USAF AM-6 | Butanal, oxime | BUTYRALDOXIME | DTXSID2024664 | butanaldoxime | CH3(CH2)2CH=NOH | FT-0623344 | UN 2840 | D88680 | N-butylidenehydroxylamine | Butanal oxime # | But

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥95%(GC)

Names and Identifiers

Pubchem Sid

488180678

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180678

Canonical Smiles

CCCC=NO

IUPAC Name

N-butylidenehydroxylamine

InChIKey

KGGVGTQEGGOZRN-UHFFFAOYSA-N

INCHI

1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3

Isomeric SMILES

CCCC=NO

RTECS

ES3500000

UN Number

2840

Packing Group

III

Molecular Weight

87.12

Reaxy-Rn

1698799

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698799&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: aliphatic aldoxime

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

• Refractive Index: 1.43
• Flash Point(°F): 58°C(lit.)
• Flash Point(°C): 58°C(lit.)
• Boil Point(°C): 152 °C
• Molecular Weight: 87.120 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 87.0684 Da
• Monoisotopic Mass: 87.0684 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 42.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 110-69-0, the molecular formula is C4H9NO, and the molecular weight is 87.12 g/mol. InChIKey KGGVGTQEGGOZRN-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.