2,4′-Bisphenol A - ≥98% , CAS No.837-08-1

CAS: 837-08-1 Cat. No.: B358049 分子式: C₁₅H₁₆O₂ 分子量: 228.29 EC番号: 212-650-4

GRADE & PURITY ≥98%

Synonyms

SCHEMBL177979 | 2-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)propane | Phenol, 2-(1-(4-hydroxyphenyl)-1-methylethyl)- | UNII-43OH5D3Y72 | Q27258662 | 4-[2-(2-HYDROXYPHENYL)PROPAN-2-YL]PHENOL | 2-[2-(4-hydroxyphenyl)propan-2-yl]phenol | 4-(2-(2-HYDROXYPHENYL)-2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

SCHEMBL177979 | 2-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)propane | Phenol, 2-(1-(4-hydroxyphenyl)-1-methylethyl)- | UNII-43OH5D3Y72 | Q27258662 | 4-[2-(2-HYDROXYPHENYL)PROPAN-2-YL]PHENOL | 2-[2-(4-hydroxyphenyl)propan-2-yl]phenol | 4-(2-(2-HYDROXYPHENYL)-2-

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 508807661
• カノニカル・スマイル: CC(C)(C1=CC=C(C=C1)O)C2=CC=CC=C2O
• IUPAC Name: 2-[2-(4-hydroxyphenyl)propan-2-yl]phenol
• InChIKey: MLCQXUZZAXKTSG-UHFFFAOYSA-N
• INCHI: 1S/C15H16O2/c1-15(2,11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h3-10,16-17H,1-2H3
• 異性体SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=CC=C2O
• 分子量: 228.29
• Reaxy-Rn: 3032519
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3032519&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpropanes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

化学的性質と物理的性質

• 融点（°C）: 108-110° C
• 分子量: 228.290 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.115 Da
• Monoisotopic Mass: 228.115 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 241.000
• 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