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471399

Toluene-d₈

Name: Toluene-d<SUB>8</SUB>
Brand: ALDRICH

99 atom % D, contains 0.03 % (v/v) TMS

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About This Item

Linear Formula:

C₆D₅CD₃

CAS Number:

2037-26-5

Molecular Weight:

100.19

UNSPSC Code:

12142201

NACRES:

NA.21

PubChem Substance ID:

24870729

EC Number:

218-009-5

Beilstein/REAXYS Number:

1909300

MDL number:

MFCD00044638

Isotopic purity:

99 atom % D

Assay:

≥99.0%

Mass shift:

M+8

Form:

liquid

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Properties

isotopic purity

99 atom % D

Quality Level

100

assay

≥99.0%

form

liquid

contains

0.03 % (v/v) TMS

expl. lim.

0.34-6.3 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.0100% water
water

refractive index

n20/D 1.494 (lit.)

bp

110 °C (lit.)

mp

-84 °C (lit.)

density

0.943 g/mL at 25 °C (lit.)

mass shift

M+8

SMILES string

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

InChI

1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D

InChI key

YXFVVABEGXRONW-JGUCLWPXSA-N

Description

General description

Toluene-d₈ is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. Its spin–lattice relaxation time (T ₁), viscosity and density have been measured over -35 to 200°C range. The temperature dependent chemical shifts in the proton NMR spectra of α,β-unsaturated ketones in toluene-d₈ has been studied.

Toluene-d8 is a non polar, aromatic solvent.

Application

Organic aerosol mixing observed by single-particle mass spectrometry.: The study focuses on the dynamics of organic aerosols, utilizing advanced spectrometric techniques to analyze the interaction and transformation of airborne organic compounds such as Toluene-d₈ (Robinson et al., 2013).

Biochem/physiol Actions

Toluene-d8 is used in the determination of magnitude of magnetic interactions, hydrogen bond geometry and its association with solvent polarity. Toluene is highly biotoxic and lethal for microorganisms, therefore can be used as a sterilant.

Other Notes

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pictograms

GHS02,GHS08,GHS07

signalword

Danger

hcodes

H225,H304,H315,H336,H361d,H373,H412

pcodes

P202 - P210 - P273 - P301 + P310 - P303 + P361 + P353 - P331

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

39.2 °F - closed cup

flash_point_c

4 °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.

Class I Designated Chemical Substances

prtr

Group 4: Flammable liquids + Type 1 petroleums + Hazardous rank II + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

471399-10G:4.548173156101E12 + 471399-25G:4.548173156118E12 + 471399-5G:4.548173156125E12

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