3-Chlorophthalsäureanhydrid - ≥95% , CAS No.117-21-5

CAS: 117-21-5 Cat. No.: C299785 Summenformel: C₈H₃ClO₃ Molekulargewicht: 182.56 EG-Nummer: 204-179-8

GRADE & PURITY ≥95%

Synonyms

UNII-VO7NXT0137 | A803737 | Q4634121 | chlorophthalic anhydride | FS-1337 | UERPUZBSSSAZJE-UHFFFAOYSA-N | NSC 122937 | EINECS 204-179-8 | NSC122937 | NSC-122937 | VO7NXT0137 | SY001001 | 4-chloro-2-benzofuran-1,3-dione | 3-chlorophthalic acid anhydride |

Storage

Argon geladen

Shipped In

Normal

Specifications

Synonyme

UNII-VO7NXT0137 | A803737 | Q4634121 | chlorophthalic anhydride | FS-1337 | UERPUZBSSSAZJE-UHFFFAOYSA-N | NSC 122937 | EINECS 204-179-8 | NSC122937 | NSC-122937 | VO7NXT0137 | SY001001 | 4-chloro-2-benzofuran-1,3-dione | 3-chlorophthalic acid anhydride |

Spezifikationen & Reinheit

≥95%

Storage

Argon geladen

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488183887

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183887

Kanonisches Lächeln

C1=CC2=C(C(=C1)Cl)C(=O)OC2=O

IUPAC Name

4-chloro-2-benzofuran-1,3-dione

InChIKey

UERPUZBSSSAZJE-UHFFFAOYSA-N

INCHI

1S/C8H3ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H

Isomere SMILES

C1=CC2=C(C(=C1)Cl)C(=O)OC2=O

Molekulargewicht

182.56

Reaxy-Rn

135788

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135788&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalic anhydrides
• Alternative Parents: Isobenzofuranones Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Vinylogous halides Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Vinylogous halide - Carboxylic acid derivative - Oxacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Siedepunkt (°C): 170 °C
• Schmelzpunkt (°C): 128 °C
• Molekulargewicht: 182.560 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 181.977 Da
• Monoisotopic Mass: 181.977 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 238.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

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

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 117-21-5, the molecular formula is C8H3ClO3, and the molecular weight is 182.56 g/mol. InChIKey UERPUZBSSSAZJE-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.