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40422-04-6

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40422-04-6 Usage

Uses

n-Propyl-1,1-d2 Alcohol (CAS# 40422-04-6) is a useful isotopically labeled research compound.

Check Digit Verification of cas no

The CAS Registry Mumber 40422-04-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,4,2 and 2 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 40422-04:
(7*4)+(6*0)+(5*4)+(4*2)+(3*2)+(2*0)+(1*4)=66
66 % 10 = 6
So 40422-04-6 is a valid CAS Registry Number.

40422-04-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,1-dideuteriopropan-1-ol

1.2 Other means of identification

Product number -
Other names <1,1-2H2>propanol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:40422-04-6 SDS

40422-04-6Relevant articles and documents

NITRIC OXIDE CHEMICAL IONIZATION MASS SPECTROMETRY OF ALCOHOLS.

Hunt,Harvey,Brumley,Ryan III,Russell

, p. 492 - 496 (1982)

Electron ionization of nitric oxide at 1 torr affords the nitrosonium ion, NO** plus , in high abundance. Under chemical ionization conditions, this ion undergoes a different set of ion-molecule reactions with primary, secondary, and tertiary alcohols. Reaction of NO** plus with primary and secondary alcohols affords abundant (M minus 1)** plus and (M minus 2 plus NO)** plus ions. An (M minus 3)** plus ion is generated from primary but not from secondary alcohols Secondary but not usually primary alcohol afford (M minus OH)** plus ions. Tertiary alcohols afford spectra containing a single ion corresponding to (M minus OH)** plus . Nitric oxide chemical ionization mass spectra can be used to differentiate isomeric alcohols.

Baird,Aboderin

, p. 252,253 (1964)

FT-Raman spectra of n-propanol and selected partially 2H-labelled analogues

Edwards,Farwell,Bowen

, p. 184 - 190 (2007/10/03)

Fourier-transform Raman spectra of CH3CH2CH2OH and some of its selectively deuteriated analogues have been obtained. Comparisons of the Raman spectra of the protiated and partially deuteriated species, in conjunction with polarization data, has enabled improved vibrational assignments to be made for the C-H modes. As a result, confirmation of some literature assignments of stretching and bending modes and revision of other tentative assignments for large biopolymer molecules have been proposed.

Site-selective deuterium labeling of the tetrabutylammonium cation

Heinsen, Melissa J.,Pochapsky, Thomas C.

, p. 473 - 480 (2007/10/03)

Four separate selectively deuterated samples of tetrabutylammonium iodide have been prepared in which each one of the four nonequivalent alkyl carbons is separately and fully deuterated. These samples were prepared for nuclear magnetic resonance (NMR) studies of the aggregation of ion pairs in low polarity solvents.

Synthesis, Structure, and Thermolysis Mechanism of S-Alkoxythiazynes

Yoshimura, Toshiaki,Ohkubo, Masanori,Fujii, Takayoshi,Kita, Hiroshi,Wakai, Youko,Ono, Shin,Morita, Hiroyuki,Shimasaki, Choichiro,Horn, Ernst

, p. 1629 - 1637 (2007/10/03)

S-Alkoxy-S,S-diarylthiazynes were prepared by two methods: the alkaline hydrolysis of S,S-diaryl-N-halosulfilimines in aqueous alcohols and the reaction of S,S-diaryl-S-fluorothiazynes with sodium alkoxides. The structure of S,S-diphenyl-S-propoxythiazyne was determined by an X-ray crystallographic analysis, which showed a short SN bond length of 1.441(3) A. The thermolysis of S-alkoxythiazynes gave elimination products, which were identified as the corresponding carbonyl compounds and N-unsubstituted S,S-diarylsulfilimines. Kinetic experiments for the thermolysis of the S-alkoxy-S,S-diarylthiazynes were carried out. The first-order kinetic behavior, a large kinetic isotope effect (kHkD = 6.1 ) using S,S-diphenyl-S-[1,1-2H2]propoxythiazyne, a negative activation entropy (ΔS? = -30 J K-1mol-1), and a negative Hammett ρ-value (ρ= -0.35) on the phenyl group were obtained, suggesting that the reaction proceeds via a concerted five-membered cyclic transition state. A deviation from the ideal concerted transition state is discussed in comparison with that for sulfoxides.

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