(±)-trans-1,2-Cyclopentanediol - ≥97% , CAS No.5057-99-8

CAS: 5057-99-8 Cat. No.: T471195 Summenformel: C₅H₁₀O₂ Molekulargewicht: 102.13 EG-Nummer: 225-757-6

GRADE & PURITY ≥97%

Synonyms

rac-(1R,2R)-cyclopentane-1,2-diol | AC7934 | F52991 | MFCD00082582 | trans-1,2-Cyclopentanediol | (1R,2R)-1,2-Cyclopentanediol | 3,4 inverted exclamation mark -Dichloropropiophenone | (trans)-cyclopentane-1,2-diol | (4-Bromophenyl)methanamine;p-Bromobenze

Storage

Room temperature

Specifications

Synonyme

rac-(1R,2R)-cyclopentane-1,2-diol | AC7934 | F52991 | MFCD00082582 | trans-1,2-Cyclopentanediol | (1R,2R)-1,2-Cyclopentanediol | 3,4 inverted exclamation mark -Dichloropropiophenone | (trans)-cyclopentane-1,2-diol | (4-Bromophenyl)methanamine;p-Bromobenze

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488188760
• Kanonisches Lächeln: C1CC(C(C1)O)O
• IUPAC Name: (1R,2R)-cyclopentane-1,2-diol
• InChIKey: VCVOSERVUCJNPR-RFZPGFLSSA-N
• INCHI: 1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5-/m1/s1
• Isomere SMILES: C1C[C@H]([C@@H](C1)O)O
• Molekulargewicht: 102.13
• Reaxy-Rn: 2036465
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036465&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols
        • Ebene5 Secondary alcohols
          • Ebene6 Cyclopentanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclopentanols
• Alternative Parents: Cyclic alcohols and derivatives 1,2-diols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopentanol - Cyclic alcohol - 1,2-diol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclopentanols. These are compounds containing a cyclopentane ring that carries an alcohol 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

• Schmelzpunkt (°C): 46-50°C
• Molekulargewicht: 102.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 55.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Häufig gestellte Fragen

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5057-99-8, the molecular formula is C5H10O2, and the molecular weight is 102.13 g/mol. InChIKey VCVOSERVUCJNPR-RFZPGFLSSA-N.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.