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

CAS: 1173020-20-6 Cat. No.: D357372 Summenformel: C₃HD₅Cl₂O Molekulargewicht: 134.02 EG-Nummer: 694-093-0

QUALITÄT & REINHEIT ≥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

Übersicht

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

Spezifikationen

Synonyme

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) |

Spezifikationen & Reinheit

≥98 atom% D,≥97%

Storage

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

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥97%

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

[2H]C([2H])(C([2H])(C([2H])([2H])Cl)O)Cl

UN-Nummer

2750

Verpackungsgruppe

II

Molekulargewicht

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
    • Klasse Halohydrins
      • Subclass Chlorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic;light sensitive
• Siedepunkt (°C): 174.3 °C
• Schmelzpunkt (°C): -4° C
• Molekulargewicht: 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