1,3-Dichloro-2-propanol-d5 - ≥98 atom% D,≥97% , CAS No.1173020-20-6

CAS: 1173020-20-6 Cat. No.: D357372 Peso molecular: 134.02 Número EC: 694-093-0

GRADE & PURITY ≥98 atom% D,≥97%

Synonyms

1173020-20-6 | Bis(chloromethyl)methanol-d5 | 1,3-dichloro-1,1,2,3,3-pentadeuteriopropan-2-ol | 2-Chloro-1-(chloromethyl)ethanol-d5 | DTXSID90724506 | D98040 | 1,3-DICHLORO-ISO-PROPYL-D5 ALCOHOL | 1,3-Dichloroisopropyl-d5 alcohol, 98 atom % D, 98% (CP) |

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

1,3-Dichloro-2-propanol-d5 is a labelled chloropropanol which shows toxic effects.

Specifications

Sinónimos

1173020-20-6 | Bis(chloromethyl)methanol-d5 | 1, 3-dichloro-1, 1, 2, 3, 3-pentadeuteriopropan-2-ol | 2-Chloro-1-(chloromethyl)ethanol-d5 | DTXSID90724506 | D98040 | 1, 3-DICHLORO-ISO-PROPYL-D5 ALCOHOL | 1, 3-Dichloroisopropyl-d5 alcohol, 98 atom % D, 98% (CP) |

Especificaciones y pureza

≥98 atom% D, ≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98 atom% D, ≥97%

Nombres e identificadores

• Sonrisas canónicas: C(C(CCl)O)Cl
• IUPAC Name: 1,3-dichloro-1,1,2,3,3-pentadeuteriopropan-2-ol
• InChIKey: DEWLEGDTCGBNGU-UXXIZXEISA-N
• INCHI: 1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2/i1D2,2D2,3D
• Isómeros SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])Cl)O)Cl
• Número ONU: 2750
• Grupo de embalaje: II
• Peso molecular: 134.02
• Reaxy-Rn: 1732063
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732063&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

• Sensibilidad: Hygroscopic;light sensitive
• Punto de ebullición (°C): 174.3 °C
• Punto de fusión (°C): -4° C
• Peso molecular: 134.010 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 133.011 Da
• Monoisotopic Mass: 133.011 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.000
• Isotope Atom Count: 5
• 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