1,2-Diacetoxybenzene - ≥98%(GC) , CAS No.635-67-6

CAS: 635-67-6 Cat. No.: D154223 Summenformel: C₁₀H₁₀O₄ Molekulargewicht: 194.19 EG-Nummer: 211-240-2

GRADE & PURITY ≥98%(GC)

Synonyms

BRN 1912242 | 1,2-Phenylene diacetate | 17XEB07K1M | MFCD00017219 | 1,2-phenylenediacetate | o-Phenylene diacetate | UNII-17XEB07K1M | AI3-03602 | BDBM178051 | 1,2-Benzenediol diethanoate | 4-06-00-05582 (Beilstein Handbook Reference) | AKOS016846199 | FB

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BRN 1912242 | 1,2-Phenylene diacetate | 17XEB07K1M | MFCD00017219 | 1,2-phenylenediacetate | o-Phenylene diacetate | UNII-17XEB07K1M | AI3-03602 | BDBM178051 | 1,2-Benzenediol diethanoate | 4-06-00-05582 (Beilstein Handbook Reference) | AKOS016846199 | FB

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Kanonisches Lächeln

CC(=O)OC1=CC=CC=C1OC(=O)C

IUPAC Name

(2-acetyloxyphenyl) acetate

InChIKey

FBSAITBEAPNWJG-UHFFFAOYSA-N

INCHI

1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3

Isomere SMILES

CC(=O)OC1=CC=CC=C1OC(=O)C

RTECS

CZ8937560

Molekulargewicht

194.19

Reaxy-Rn

1912242

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912242&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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

• Siedepunkt (°C): 140°C/12mmHg(lit.)
• Schmelzpunkt (°C): 64 °C
• Molekulargewicht: 194.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.058 Da
• Monoisotopic Mass: 194.058 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 200.000
• 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