(S)-1-Chloro-2-propanol - ≥97% , CAS No.37493-16-6

CAS: 37493-16-6 Cat. No.: S189129 Peso molecular: 94.54 Número EC: 684-565-4

GRADE & PURITY ≥97%

Synonyms

(S)-1-chloropropan-2-ol | 1-Chloro-propan-2-ol | BB 0262563 | (S)-1-Chloro-2-propanol | A6410 | AS-12326 | MFCD01862133 | D87799 | AKOS015840155 | (2S)-1-chloropropan-2-ol | 2-Propanol, 1-chloro-, (2S)- | DTXSID901309341

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(S)-1-chloropropan-2-ol | 1-Chloro-propan-2-ol | BB 0262563 | (S)-1-Chloro-2-propanol | A6410 | AS-12326 | MFCD01862133 | D87799 | AKOS015840155 | (2S)-1-chloropropan-2-ol | 2-Propanol, 1-chloro-, (2S)- | DTXSID901309341

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759698
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759698
• Sonrisas canónicas: CC(CCl)O
• IUPAC Name: (2S)-1-chloropropan-2-ol
• InChIKey: YYTSGNJTASLUOY-VKHMYHEASA-N
• INCHI: 1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1
• Isómeros SMILES: C[C@@H](CCl)O
• Peso molecular: 94.54
• Reaxy-Rn: 773653
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773653&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Halohydrins
      • Subclass Chlorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Halohydrins
• Subclass: Chlorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorohydrins
• Alternative Parents: Secondary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Chlorohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl 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

Propiedades químicas y físicas

• Índice de refracción: 1.42 (Predicted)
• Rotación específica [α]: +22°, c = 1.06 in chloroform
• Punto de ebullición (°C): 126-127° C at 760 mmHg
• Peso molecular: 94.540 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 94.0185 Da
• Monoisotopic Mass: 94.0185 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 22.900
• 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