potassium benzenolate - ≥97% , CAS No.100-67-4

CAS: 100-67-4 Cat. No.: P171611 분자식: C₆H₅KO 분자량: 132.2016 EC 번호: 202-877-7 PubChem CID: 23670670

GRADE & PURITY ≥97%

Synonyms

EINECS 202-877-7 | Q27272365 | SB40767 | 9CQ00ODF3U | DTXSID30881405 | Potassium phenolate | potassium;phenoxide | Potassium phenoxide | Potassiumphenolate | SCHEMBL21731 | POTASSIUM CARBOLATE | SY099113 | POTASSIUM PHENOXIDE [INCI] | KOPh | potassium phe

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

EINECS 202-877-7 | Q27272365 | SB40767 | 9CQ00ODF3U | DTXSID30881405 | Potassium phenolate | potassium;phenoxide | Potassium phenoxide | Potassiumphenolate | SCHEMBL21731 | POTASSIUM CARBOLATE | SY099113 | POTASSIUM PHENOXIDE [INCI] | KOPh | potassium phe

사양 및 순도

≥97%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 504769569
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769569
• 정식 스마일: C1=CC=C(C=C1)[O-].[K+]
• IUPAC Name: potassium;phenoxide
• InChIKey: ZGJADVGJIVEEGF-UHFFFAOYSA-M
• INCHI: 1S/C6H6O.K/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
• 이성체 SMILES: C1=CC=C(C=C1)[O-].[K+]
• PubChem CID: 23670670
• 분자량: 132.2016

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenoxides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxides
• Alternative Parents: Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenoxides. These are salts or analogous metal derivatives of phenols.
• 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

화학 및 물리적 특성

• 감도: Light sensitive
• 녹는점(°C): 103-104 °C
• 분자량: 132.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 131.998 Da
• Monoisotopic Mass: 131.998 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.500
• 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: 2

XLogP3

참고 문헌

1. Zifeng Yang, Lei Liu, Hongzhe An, Chenhao Li, Zhencai Zhang, Wenjuan Fang, Fei Xu, Suojiang Zhang.  (2020)  Cost-Effective Synthesis of High Molecular Weight Biobased Polycarbonate via Melt Polymerization of Isosorbide and Dimethyl Carbonate.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.0c00430]