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

CAS: 1173020-20-6 Cat. No.: D357372 Molecular Weight: 134.02 EC Number: 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

Overview

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

Specifications

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) |

Specifications & Purity

≥98 atom% D, ≥97%

Storage

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98 atom% D, ≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])Cl)O)Cl
• UN Number: 2750
• Packing Group: II
• Molecular Weight: 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
    • Class Halohydrins
      • Subclass Chlorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic;light sensitive
• Boil Point(°C): 174.3 °C
• Melt Point(°C): -4° C
• Molecular Weight: 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