2,2′-Biphenyldimethanol - ≥98% , CAS No.3594-90-9

CAS: 3594-90-9 Cat. No.: B301584 分子式: C₁₄H₁₄O₂ 分子量: 214.26

GRADE & PURITY ≥98%

Synonyms

2,2'-Biphenyldimethanol, 98% | HMS1432N09 | AS-30934 | IDI1_012034 | [1,1'-Biphenyl]-2,2'-dimethanol | CHEBI:19280 | [1,1'-biphenyl]-2,2'-diyldimethanol | Maybridge3_000647 | 2,2'-Biphenyldimethanol | 2,2'-Di(hydroxymethyl)biphenyl | AB92618 | 2,2'-Bis(hy

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

2,2'-Biphenyldimethanol, 98% | HMS1432N09 | AS-30934 | IDI1_012034 | [1,1'-Biphenyl]-2,2'-dimethanol | CHEBI:19280 | [1,1'-biphenyl]-2,2'-diyldimethanol | Maybridge3_000647 | 2,2'-Biphenyldimethanol | 2,2'-Di(hydroxymethyl)biphenyl | AB92618 | 2,2'-Bis(hy

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488188952

カノニカル・スマイル

C1=CC=C(C(=C1)CO)C2=CC=CC=C2CO

IUPAC Name

[2-[2-(hydroxymethyl)phenyl]phenyl]methanol

InChIKey

UIMJANTUJQGSEX-UHFFFAOYSA-N

INCHI

1S/C14H14O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2

異性体SMILES

C1=CC=C(C(=C1)CO)C2=CC=CC=C2CO

分子量

214.26

Reaxy-Rn

1963867

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1963867&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzyl alcohols Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzyl alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: biphenyls

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

• 分子量: 214.260 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.099 Da
• Monoisotopic Mass: 214.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 183.000
• 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