(2H5)Benzoic acid

Modify Date: 2024-01-06 21:58:32

(2H5)Benzoic acid Structure
(2H5)Benzoic acid structure
Common Name (2H5)Benzoic acid
CAS Number 1079-02-3 Molecular Weight 127.152
Density 1.2±0.1 g/cm3 Boiling Point 249.3±9.0 °C at 760 mmHg
Molecular Formula C7HD5O2 Melting Point 121-125ºC(lit.)
MSDS Chinese USA Flash Point 121.1±0.0 °C
Symbol GHS05 GHS07 GHS08
GHS05, GHS07, GHS08
Signal Word Danger

 Use of (2H5)Benzoic acid


Benzoic acid-d5 is a deuterium substitute for Benzoic acid. Benzoic acid is an aromatic alcohol that occurs naturally in many plants and is a common additive in food, beverages, cosmetics and other products. Benzoic acid can act as a preservative by inhibiting bacteria and fungi[1][2].

 Names

Name benzoic acid-d5
Synonym More Synonyms

 (2H5)Benzoic acid Biological Activity

Description Benzoic acid-d5 is a deuterium substitute for Benzoic acid. Benzoic acid is an aromatic alcohol that occurs naturally in many plants and is a common additive in food, beverages, cosmetics and other products. Benzoic acid can act as a preservative by inhibiting bacteria and fungi[1][2].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. Benzoic acid-d5 can be used for labeling and quantifying the glycopeptides of human serum IgG (hIgG)[3].
References

[1]. Edward M Russak, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. doi: 10.1177/1060028018797110. Epub 2018 Aug 23.

[2]. Nair B, et al. Final report on the safety assessment of Benzyl Alcohol, Benzoic Acid, and Sodium Benzoate. Int J Toxicol. 2001;20 Suppl 3:23-50.

[3]. Masaki Kurogochi, et al. Relative quantitation of glycopeptides based on stable isotope labeling using MALDI-TOF MS. Molecules. 2014 Jul 9;19(7):9944-61.

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 249.3±9.0 °C at 760 mmHg
Melting Point 121-125ºC(lit.)
Molecular Formula C7HD5O2
Molecular Weight 127.152
Flash Point 121.1±0.0 °C
Exact Mass 127.068161
PSA 37.30000
LogP 1.89
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.564
Storage condition Refrigerator

 Safety Information

Symbol GHS05 GHS07 GHS08
GHS05, GHS07, GHS08
Signal Word Danger
Hazard Statements H302-H315-H317-H318-H334-H335
Precautionary Statements P261-P280-P305 + P351 + P338-P342 + P311
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn
Risk Phrases R22
Safety Phrases S22-S26-S36
WGK Germany 3

 Synthetic Route

 Articles1

More Articles
Carbon dioxide utilization via carbonate-promoted C-H carboxylation.

Nature 531 , 215-9, (2016)

Using carbon dioxide (CO2) as a feedstock for commodity synthesis is an attractive means of reducing greenhouse gas emissions and a possible stepping-stone towards renewable synthetic fuels. A major i...

 Synonyms

Benzoic-d acid
pentadeuterated benzoic acid
(H)Benzoic acid
Benzoic-d5 acid
MFCD00002400
1,2,3,4,5-pentadeuteriobenzoic acid
EINECS 214-089-0
2,3,4,5,6-pentadeuteriobenzoic acid
ring deuterated benzoic acid
d5-benzoic acid