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Key Documents

217158

Sigma-Aldrich

Benzoic acid-2,3,4,5,6-d5

≥99 atom % D, ≥99% (CP)

Synonym(s):

Benzoic-d5 acid-(phenyl-d5), Deuterated benzoic acid

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About This Item

Linear Formula:
C6D5CO2H
CAS Number:
Molecular Weight:
127.15
EC Number:
MDL number:
UNSPSC Code:
12352106
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

≥99 atom % D

Quality Level

Assay

≥99% (CP)

form

powder

autoignition temp.

1061 °F

bp

249 °C (lit.)

mp

121-125 °C (lit.)

mass shift

M+5

SMILES string

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

InChI

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D

InChI key

WPYMKLBDIGXBTP-RALIUCGRSA-N

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.

Pictograms

Health hazardCorrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation

Target Organs

Lungs

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Aanindeeta Banerjee et al.
Nature, 531(7593), 215-219 (2016-03-11)
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