4-Fluorobenzoic acid-α-¹³C-2,3,5,6-d₄

Name: 4-Fluorobenzoic acid-α-<SUP>13</SUP>C-2,3,5,6-d<SUB>4</SUB>
Brand: ALDRICH
Price: 580 USD
Availability: InStock

99 atom % ¹³C, 98 atom % D

Synonym(s):

4-Fluorobenzoic-carboxy-¹³C-2,3,5,6-d₄-acid

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About This Item

Linear Formula:

FC₆D₄¹³CO₂H

CAS Number:

285977-82-4

Molecular Weight:

145.13

MDL number:

MFCD01075384

UNSPSC Code:

12352106

PubChem Substance ID:

24872662

NACRES:

NA.12

Key Documents

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isotopic purity

99 atom % ¹³C
98 atom % D

Quality Level

200

form

solid

technique(s)

bio NMR: suitable

mp

182-184 °C (lit.)

mass shift

M+5

SMILES string

[2H]c1c([2H])c(c([2H])c([2H])c1F)[13C](O)=O

InChI

1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D,7+1

InChI key

BBYDXOIZLAWGSL-YRTBNJHASA-N

Related Categories

Stable Isotopes

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This Item	487716	634379	691887
Sigma-Aldrich 491551 4-Fluorobenzoic acid-α-¹³C-2,3,5,6-d₄	Sigma-Aldrich 487716 2-Keto-4-methylpentanoic-1-¹³C acid sodium salt	Sigma-Aldrich 634379 2-Keto-3-(methyl-¹³C,d₂)-butyric acid-4-¹³C,d₂ sodium salt	Sigma-Aldrich 691887 2-Keto-3-(methyl-d₃)-butyric acid-4-¹³C,3-d sodium salt
isotopic purity 99 atom % ¹³C, 98 atom % D	isotopic purity 99 atom % ¹³C	isotopic purity 98 atom % ¹³C, 98 atom % D	isotopic purity 99 atom % ¹³C, 97 atom % D
mass shift M+5	mass shift M+1	mass shift M+6	mass shift M+5
technique(s) bio NMR: suitable	technique(s) bio NMR: suitable	technique(s) bio NMR: suitable	technique(s) bio NMR: suitable
Quality Level 200	Quality Level 200	Quality Level 200	Quality Level 200
form solid	form solid	form solid	form solid
mp 182-184 °C (lit.)	mp 280 °C (dec.) (lit.)	mp 227-230 °C (lit.)	mp 227-230 °C

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

GHS05,GHS07

signalword

Danger

hcodes

H302,H318

pcodes

P280 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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4-Fluorobenzoic acid-α-¹³C-2,3,5,6-d₄