Benzoic anhydride - ≥98% , CAS No.93-97-0

CAS: 93-97-0 Cat. No.: B104818 Summenformel: C₁₄H₁₀O₃ Molekulargewicht: 226.23 Beilstein Registry Number: 516726 EG-Nummer: 202-291-1

GRADE & PURITY ≥98%

Synonyms

CHEBI:38815 | (PhCO)2O | Benzoic acid, 1,1'-anhydride | Benzoyl benzoate | Benzoic anhydride, Vetec(TM) reagent grade, 89% | phenylcarbonyl benzoate | BENZOIC ANHYDRIDE | Benzoic anhydride, >=95% | 9K7X34FOV2 | AKOS000121027 | AM1224 | NCGC00248845-01 | D

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

CHEBI:38815 | (PhCO)2O | Benzoic acid, 1,1'-anhydride | Benzoyl benzoate | Benzoic anhydride, Vetec(TM) reagent grade, 89% | phenylcarbonyl benzoate | BENZOIC ANHYDRIDE | Benzoic anhydride, >=95% | 9K7X34FOV2 | AKOS000121027 | AM1224 | NCGC00248845-01 | D

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508816429

Kanonisches Lächeln

C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2

IUPAC Name

benzoyl benzoate

InChIKey

CHIHQLCVLOXUJW-UHFFFAOYSA-N

INCHI

1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H

Isomere SMILES

C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2

WGK Deutschland

3

UN-Nummer

1479

Molekulargewicht

226.23

Beilstein

516726

Reaxy-Rn

516726

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=516726&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Benzoic acids and derivatives Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid anhydrides Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Benzoic acid or derivatives - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• External Descriptors: acyclic carboxylic anhydride

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

• Löslichkeit: Soluble in alcohol, ether, chloroform, acetone, ethyl acetate, benzene, toluene, glacial acetic acid, acetic anhydride and ethanol. Slightly soluble in benzene and acetone. Insoluble in water.
• Empfindlichkeit: Moisture sensitive;Heat sensitive
• Brechungsindex: 1.57665
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 158°C/1mmHg
• Schmelzpunkt (°C): 41°C-44°C
• Molekulargewicht: 226.230 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 226.063 Da
• Monoisotopic Mass: 226.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 245.000
• 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