1,1,1,3,3,3-Hexafluoro-2-propanol-d₂ - ≥99 atom% D , CAS No.38701-74-5

CAS: 38701-74-5 Cat. No.: H121303 Molecular Weight: 170.05 EC Number: 254-091-9

GRADE & PURITY ≥99 atom% D

Synonyms

HFP-d2 | HFIP-d2 | AKOS015903013 | 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane | Deuterated HFP | MFCD00037559 | Deuterated 1,1,1,3,3,3-hexafluoro-2-propanol | EINECS 254-091-9 | 1,1,1,3,3,3-Hexafluoro-2-propanol-d2, 99 atom % D | E79361 | SCHE

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Product Application:

1,1,1,3,3,3-Hexafluoro-2-propanol-d{2} is a stable isotope used for biochemical research. It is also used as an intermediate in chemical research and in pharmaceutics.

Specifications

Synonyms

HFP-d2 | HFIP-d2 | AKOS015903013 | 2-deuterio-2-deuteriooxy-1, 1, 1, 3, 3, 3-hexafluoropropane | Deuterated HFP | MFCD00037559 | Deuterated 1, 1, 1, 3, 3, 3-hexafluoro-2-propanol | EINECS 254-091-9 | 1, 1, 1, 3, 3, 3-Hexafluoro-2-propanol-d2, 99 atom % D | E79361 | SCHE

Specifications & Purity

≥99 atom% D

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥99 atom% D

Names and Identifiers

• Pubchem Sid: 504760929
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760929
• Canonical Smiles: [2H]OC([2H])(C(F)(F)F)C(F)(F)F
• IUPAC Name: 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane
• InChIKey: BYEAHWXPCBROCE-AWPANEGFSA-N
• INCHI: 1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/i1D,10D
• Isomeric SMILES: [2H]C(C(F)(F)F)(C(F)(F)F)O[2H]
• WGK Germany: 3
• Alternate CAS: 920-66-1（Unlabeled）
• Molecular Weight: 170.05
• Reaxy-Rn: 1934511
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1934511&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Halohydrins
      • Subclass Fluorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Halohydrins
• Subclass: Fluorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorohydrins
• Alternative Parents: Secondary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine 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

• Solubility: Fully miscible in water.
• Sensitivity: Hygroscopic；Light sensitive；Moisture sensitive
• Refractive Index: 1.275
• Boil Point(°C): 59°C
• Melt Point(°C): -4°C
• Molecular Weight: 170.050 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 170.014 Da
• Monoisotopic Mass: 170.014 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 97.100
• Isotope Atom Count: 2
• 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