(S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol - ≥96% , CAS No.133082-13-0

CAS: 133082-13-0 Cat. No.: S138159 Fórmula: ClC₆H₄CH(OH)CH₂OH Peso molecular: 172.61 PubChem CID: 2733674

GRAU & PUREZA ≥96%

Synonyms

DS-13424 | FD1211 | (1S)-1-(2-chlorophenyl)ethane-1,2-diol;(S)-1-(2-Chlorophenyl)-1,2-ethanediol | (1S)-1-(2-chlorophenyl)ethane-1,2-diol | 1,2-Ethanediol, 1-(2-chlorophenyl)-, (1S)- | 1,2-Ethanediol,1-(2-chlorophenyl)-, (1S)- | DTXSID60369968 | MFCD01863

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

DS-13424 | FD1211 | (1S)-1-(2-chlorophenyl)ethane-1,2-diol;(S)-1-(2-Chlorophenyl)-1,2-ethanediol | (1S)-1-(2-chlorophenyl)ethane-1,2-diol | 1,2-Ethanediol, 1-(2-chlorophenyl)-, (1S)- | 1,2-Ethanediol,1-(2-chlorophenyl)-, (1S)- | DTXSID60369968 | MFCD01863

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504761022

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761022

Sorrisos canónicos

C1=CC=C(C(=C1)C(CO)O)Cl

IUPAC Name

(1S)-1-(2-chlorophenyl)ethane-1,2-diol

InChIKey

YGOPULMDEZVJGI-MRVPVSSYSA-N

INCHI

1S/C8H9ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1

SMILES isoméricas

C1=CC=C(C(=C1)[C@@H](CO)O)Cl

WGK Alemanha

3

PubChem CID

2733674

Peso molecular

172.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Secondary alcohols 1,2-diols Primary alcohols Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 226.4 °F
• Ponto de inflamação (°C): 108 °C
• Peso molecular: 172.610 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.029 Da
• Monoisotopic Mass: 172.029 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 133082-13-0, the molecular formula is C8H9ClO2, and the molecular weight is 172.61 g/mol. InChIKey YGOPULMDEZVJGI-MRVPVSSYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.