(3,5-2H2)Benzoic acid

Modify Date: 2024-01-13 18:18:59

(3,5-2H2)Benzoic acid Structure
(3,5-2H2)Benzoic acid structure
Common Name (3,5-2H2)Benzoic acid
CAS Number 37960-84-2 Molecular Weight 124.134
Density 1.2±0.1 g/cm3 Boiling Point 249.3±9.0 °C at 760 mmHg
Molecular Formula C7H4D2O2 Melting Point N/A
MSDS N/A Flash Point 121.1±0.0 °C

 Use of (3,5-2H2)Benzoic acid


Benzoic-3,5 Acid-d2 is the deuterium labeled Benzoic-3,5 Acid[1].

 Names

Name benzoic-3,5-d2 acid
Synonym More Synonyms

 (3,5-2H2)Benzoic acid Biological Activity

Description Benzoic-3,5 Acid-d2 is the deuterium labeled Benzoic-3,5 Acid[1].
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].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 249.3±9.0 °C at 760 mmHg
Molecular Formula C7H4D2O2
Molecular Weight 124.134
Flash Point 121.1±0.0 °C
Exact Mass 124.049332
PSA 37.30000
LogP 1.89
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.564

 Synthetic Route

~%

(3,5-2H2)Benzoic acid Structure

(3,5-2H2)Benzoi...

CAS#:37960-84-2

Literature: Tashiro, Masashi; Nakayama, Kouji; Fukata, Gouki Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , # 10 p. 2315 - 2318

~81%

(3,5-2H2)Benzoic acid Structure

(3,5-2H2)Benzoi...

CAS#:37960-84-2

Literature: Kuck, Dietmar; Schneider, Jens; Gruetzmacher, Hans-Friedrich Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1985 , p. 689 - 696

~%

(3,5-2H2)Benzoic acid Structure

(3,5-2H2)Benzoi...

CAS#:37960-84-2

Literature: Tashiro, Masashi; Mataka, Shuntaro; Nakamura, Hiroshi; Nakayama, Kouji Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1988 , p. 179 - 182

~%

(3,5-2H2)Benzoic acid Structure

(3,5-2H2)Benzoi...

CAS#:37960-84-2

Literature: Tashiro, Masashi; Mataka, Shuntaro; Nakamura, Hiroshi; Nakayama, Kouji Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1988 , p. 179 - 182

~%

(3,5-2H2)Benzoic acid Structure

(3,5-2H2)Benzoi...

CAS#:37960-84-2

Literature: Kuck, Dietmar; Schneider, Jens; Gruetzmacher, Hans-Friedrich Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1985 , p. 689 - 696

~%

(3,5-2H2)Benzoic acid Structure

(3,5-2H2)Benzoi...

CAS#:37960-84-2

Literature: Kuck, Dietmar; Schneider, Jens; Gruetzmacher, Hans-Friedrich Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1985 , p. 689 - 696

 Synonyms

Benzoic-3,5-d acid
2H-1,3,5-Thiadiazine-2-thione,tetrahydro-3,5-dicyclohexyl
2H-1,3,5-Thiadiazine-2-thione,3,5-dicyclohexyltetrahydro
3.5-Dideuteriobenzoesaeure
(3,5-H)Benzoic acid
3',5'-dideoxy-adenosine
2-Thio-3,5-dicyclohexyl-tetrahydro-1,3,5-thiadiazin
3,5-Dicyclohexyl-tetrahydro-<1,3,5>thiadiazin-2-thion
3'-deoxyadenosine
Tetrahydro-3,5-dicyclohexyl-2H-1,3,5-thiadiazine-2-thione
3',5'-Dideoxyadenosin
3,5-dideuteriobenzoic acid