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425370

Sigma-Aldrich

Phenol-2,3,4,5,6-d5

98 atom % D

Synonym(s):

Pentadeuteriophenol

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About This Item

Linear Formula:
C6D5OH
CAS Number:
4165-62-2
Molecular Weight:
99.14
MDL number:
MFCD00084164
UNSPSC Code:
12352001
PubChem Substance ID:
24866630
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

200

form

crystals

bp

182 °C (lit.)

mp

40-42 °C (lit.)

density

1.127 g/mL at 25 °C

mass shift

M+5

SMILES string

[2H]c1c([2H])c([2H])c(O)c([2H])c1[2H]

InChI

1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D

InChI key

ISWSIDIOOBJBQZ-RALIUCGRSA-N

Related Categories

General description

Phenol-2,3,4,5,6-d5 is an isotope-labeled analog of phenol, wherein 2,3,4, 5, and 6th protons of phenol are replaced by deuterium.

Application

Phenol-2,3,4,5,6-d5 can be used as an internal analytical standard for accurate data interpretation using various analytical techniques.

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Muta. 2 - Skin Corr. 1B - STOT RE 2

Target Organs

Nervous system,Kidney,Liver,Skin

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 2

Flash Point(F)

174.2 °F - closed cup

Flash Point(C)

79 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

425370-5G:4548173148960
425370-1G:4548173148953
425370-BULK:
425370-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC5662
MBBC4769
MBBC0235V
MBBB7442V
CC0167

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The Nature of meso-and pyro-Borate Precatalysts to the VANOL and VAPOL BOROX Catalysts
Zhao W, et al.
Synlett, 26, 1606-1614 (2015)
Development of molecularly imprinted polymer in porous film format for binding of phenol and alkylphenols from water
Gryshchenko AO and Bottaro CS
International Journal of Molecular Sciences, 15, 1338-1357 (2014)

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