Phthalimidoacetaldehyde - ≥98% , CAS No.2913-97-5

CAS: 2913-97-5 Cat. No.: N134914 Formula: C₁₀H₇NO₃ Molecular Weight: 189.17 EC Number: 805-896-4

GRADE & PURITY ≥98%

Synonyms

(+-)-Menthyl acetate | 1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde | 4-21-00-05126 (Beilstein Handbook Reference) | Fettrot | 2-(1,3-dioxoisoindolin-2-yl)acetaldehyde | 2-Isoindolineacetaldehyde, 1,3-dioxo- | AC-22537 | MFCD00023080 | 2-(1,3-dioxois

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(+-)-Menthyl acetate | 1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde | 4-21-00-05126 (Beilstein Handbook Reference) | Fettrot | 2-(1,3-dioxoisoindolin-2-yl)acetaldehyde | 2-Isoindolineacetaldehyde, 1,3-dioxo- | AC-22537 | MFCD00023080 | 2-(1,3-dioxois

Specifications & Purity

≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

Pubchem Sid

488185225

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185225

Canonical Smiles

C1=CC=C2C(=C1)C(=O)N(C2=O)CC=O

IUPAC Name

2-(1,3-dioxoisoindol-2-yl)acetaldehyde

InChIKey

LMRDBJZQDUVCQH-UHFFFAOYSA-N

INCHI

1S/C10H7NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,6H,5H2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC=O

RTECS

TI5125000

Molecular Weight

189.17

Reaxy-Rn

154145

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=154145&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles N-substituted carboxylic acid imides Benzenoids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Carboxylic acid derivative - Azacycle - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

• Solubility: Soluble in Methanol
• Sensitivity: Heat sensitive；Air sensitive
• Melt Point(°C): 112-116℃
• Molecular Weight: 189.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.043 Da
• Monoisotopic Mass: 189.043 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 263.000
• 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: 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 ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2913-97-5, the molecular formula is C10H7NO3, and the molecular weight is 189.17 g/mol. InChIKey LMRDBJZQDUVCQH-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.