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

Also known as: Benzoic acid-d5, Benzoic-d5 acid, (2H5)Benzoic acid, Benzoic acid-2,3,4,5,6-d5, Benzoic-d5 acid (phenyl-d5), pentadeuterated benzoic acid, ring deuterated benzoic acid, Benzoic acid (ring-d5)

Benzoic acid-2,3,4,5,6-d5 (CAS 1079-02-3) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C7HD5O2 and a molecular weight of 127.152 g/mol. Key properties include a melting point of 121-125ºC(lit.), a boiling point of 249.3±9.0 °C at 760 mmHg, a density of 1.2±0.1 g/cm3 and a flash point of 121.1±0.0 °C. It is classified under GHS with signal word Danger and hazard statements H302 — Harmful if swallowed, H315 — Causes skin irritation and H317 — May cause an allergic skin reaction. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 1079-02-3
Jingsj CID: J-7790-7
Molecular Formula: C₇HD₅O₂
Molecular Weight: 127.152 g/mol
Category: Organic Acids
Last updated: 8/21/2026

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Physicochemical Properties

Melting Point	121-125ºC(lit.)
Boiling Point	249.3±9.0 °C at 760 mmHg
Density	1.2±0.1 g/cm3
Flash Point	121.1±0.0 °C
Exact Mass	127.068161
PSA	37.30000
LogP	1.89
Vapor Pressure	0.0±0.5 mmHg at 25°C
Refractive Index	1.564

GHS Safety & Compliance

Corrosion / Irritant / Health HazardSignal word: Danger

H302 — Harmful if swallowed
H315 — Causes skin irritation
H317 — May cause an allergic skin reaction
H318 — Causes serious eye damage
H334 — May cause allergy or asthma symptoms if inhaled
H335 — May cause respiratory irritation

Activity & Biological Data

Additional Information	[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.

Additional Information

[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.

Frequently Asked Questions

What is the CAS number of Benzoic acid-2,3,4,5,6-d5?

The CAS number of Benzoic acid-2,3,4,5,6-d5 is 1079-02-3.

What are the molecular formula and molecular weight of Benzoic acid-2,3,4,5,6-d5?

Benzoic acid-2,3,4,5,6-d5 has molecular formula C7HD5O2 and molecular weight 127.152 g/mol.

Is Benzoic acid-2,3,4,5,6-d5 hazardous?

Benzoic acid-2,3,4,5,6-d5 has GHS signal word Danger and hazard statements H302 — Harmful if swallowed; H315 — Causes skin irritation; H317 — May cause an allergic skin reaction.

What are the upstream and downstream products of Benzoic acid-2,3,4,5,6-d5?

For Benzoic acid-2,3,4,5,6-d5, Upstream Products: Bromobenzene-d5, Carbon dioxide, benzoic acid; Downstream Products: Benzoyl chloride-d5, (3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetonitrile, Benzaldehyde-2,3,4,5,6-d5.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "Benzoic acid-2,3,4,5,6-d5 (CAS 1079-02-3)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-7790-7 (accessed 2026-11-09).

Data for reference only; verify product details with suppliers before purchase.