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2876-02-0

Phen-2,6-d2-ol,4-methyl- (9CI), also known as 4-methylphenol-d2, is a deuterated derivative of 4-methylphenol, a monosubstituted phenol compound. It consists of a benzene ring with a methyl group attached at the para position (4th carbon) and two deuterium atoms replacing hydrogen atoms at the ortho positions (2nd and 6th carbons). Phen-2,6-d2-ol,4-methyl- (9CI) is primarily used as an internal standard in analytical chemistry, particularly in gas chromatography-mass spectrometry (GC-MS) applications, to help identify and quantify 4-methylphenol in various samples. Due to its deuterated nature, it has a slightly different mass and chemical properties compared to the parent compound, which aids in the accurate determination of 4-methylphenol concentration in complex mixtures.

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  • 2876-02-0 Structure

  • Basic information

    1. Product Name: Phen-2,6-d2-ol,4-methyl- (9CI)
    2. Synonyms: p-Cres-2,6-d2-ol(7CI,8CI); p-Cresol-2,6-d2 (6CI)
    3. CAS NO:2876-02-0
    4. Molecular Formula: C7H6 D2 O
    5. Molecular Weight: 110.124
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 2876-02-0.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Phen-2,6-d2-ol,4-methyl- (9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: Phen-2,6-d2-ol,4-methyl- (9CI)(2876-02-0)
    11. EPA Substance Registry System: Phen-2,6-d2-ol,4-methyl- (9CI)(2876-02-0)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 2876-02-0(Hazardous Substances Data)

2876-02-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2876-02-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,8,7 and 6 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 2876-02:
(6*2)+(5*8)+(4*7)+(3*6)+(2*0)+(1*2)=100
100 % 10 = 0
So 2876-02-0 is a valid CAS Registry Number.

2876-02-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methylphenol

1.2 Other means of identification

Product number -
Other names 3.5-Dideuterio-p-cresol

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:2876-02-0 SDS

2876-02-0Relevant articles and documents

Ortho-Selective Hydrogen Isotope Exchange of Phenols and Benzyl Alcohols by Mesoionic Carbene-Iridium Catalyst

Zhao, Liang-Liang,Wu, Yixin,Huang, Shiqing,Zhang, Zengyu,Liu, Wei,Yan, Xiaoyu

supporting information, p. 9297 - 9302 (2021/11/30)

Hydrogen isotope exchange reactions of phenols and benzyl alcohols have been achieved by a mesoionic carbene-iridium catalyst with high ortho selectivity and high functional group tolerance. Control experiments indicated that acetate is crucial to realize the ortho selectivity, whereas density functional theory calculations supported an outer-sphere direction with hydrogen bonding between acetate and the hydroxyl group.

Shifted Selectivity in Protonation Enables the Mild Deuteration of Arenes through Catalytic Amounts of Bronsted Acids in Deuterated Methanol

Fischer, Oliver,Hubert, Anja,Heinrich, Markus R.

, p. 11856 - 11866 (2020/10/23)

Taking advantage of the "differentiating effect"of the solvent methanol, deuterations of electron-rich aromatic systems can be carried out under mild acid catalysis and thus under far milder conditions than known so far. The exceptional functional group t

Catalytic Dimerization of Alkynes via C-H Bond Cleavage by a Platinum-Silylene Complex

Innocent, Jean,Kato, Tsuyoshi,Ohta, Masaya,Tobisu, Mamoru,Yoshida, Tomoki

supporting information, p. 1678 - 1682 (2020/06/08)

The cyclodimerization of diphenylacetylene derivatives catalyzed by a platinum-silylene complex is reported. The reaction proceeds via the cleavage of a carbon-hydrogen bond at the position ortho to an alkynyl group, and no additives are needed. Platinum complexes bearing other common ligands, such as phosphines and NHCs, failed to promote this reaction, highlighting the utility of the silylene ligand in this reaction.

Ipso nitration. XXII. The stereochemistry of 1,4-dimethyl-4-nitrocyclohexa-2,5-dienols and their acetates and methyl ethers

Fischer, Alfred,Henderson, George N.,Smyth, Trevor A.,Einstein, Frederick W. B.,Cobbledick, Roger E.

, p. 584 - 590 (2007/10/02)

The higher melting isomer of 1,4-dimethyl-4-nitrocyclohexa-2,5-dienol has the (E)-configuration.The stereospecific interconversion of the dienols and the corresponding acetates and the stereospecific conversion of dienols to methyl ethers allow the assign

ON THE MECHANISM OF AROMATIC HYDROXYLATION BY O(3P) ATOMS

Zadok, Elazor,Mazur, Yehuda

, p. 4955 - 4958 (2007/10/02)

It is shown that O(3P) oxidation of aromatic compounds in the liquid phase leading to phenols may involve the intermediacy of triplet diradicals

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