ChemicalBook--->CAS DataBase List--->3976-29-2

3976-29-2

3976-29-2 Structure

3976-29-2 Structure
IdentificationBack Directory
[Name]

2-PROPANOL-1,1,1,3,3,3-D6
[CAS]

3976-29-2
[Synonyms]

iso-Propyl--d6 Alcohol
ISOPROPANOL (DIMETHYL-D6)
2-PROPANOL-1,1,1,3,3,3-D6
isopropanol-1,1,1,3,3,3-d6
Isopropanol-d6 >= 97 atom %D
<1,1,1,3,3,3-D(6)>-Propan-2-ol
Isopropyl alcohol-1,1,1,3,3,3-d6
ISO-PROPYL-1,1,1,3,3,3-D6 ALCOHOL
2-Propanol-1,1,1,3,3,3-d6 99 atom % D
Isopropanol-1,1,1,3,3,3-d6, Isopropyl-1,1,1,3,3,3-d6 alcohol
[Molecular Formula]

C3H2D6O
[MDL Number]

MFCD00144521
[MOL File]

3976-29-2.mol
[Molecular Weight]

66.13
Chemical PropertiesBack Directory
[Melting point ]

-90 °C (lit.)
[Boiling point ]

82 °C (lit.)
[density ]

0.86 g/mL at 25 °C
[refractive index ]

n20/D 1.374(lit.)
[Fp ]

60 °F
[form ]

liquid
[BRN ]

1699397
[InChI]

1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3
[InChIKey]

KFZMGEQAYNKOFK-WFGJKAKNSA-N
[SMILES]

[2H]C([2H])([2H])C(O)C([2H])([2H])[2H]
[CAS Number Unlabeled]

67-63-0
Safety DataBack Directory
[Hazard Codes ]

F,Xi
[Risk Statements ]

11-67-36
[Safety Statements ]

7-16-26-24/25
[RIDADR ]

UN 1219 3/PG 2
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2-Propanol-1,1,1,3,3,3-d6 is useful in the synthesis of complex deuterated compounds.
[General Description]

2-Propanol-1,1,1,3,3,3-d6 is 2-propanol with the hydrogen atoms on the –CH3 groups replaced by deuterium. It has been reported to be synthesized by the reduction of per-deuterioacetone. Studies show that it exists in anti and gauche conformation.
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