3880-99-7

Basic information

• Product Name: BENZOIC ACID-ALPHA-13C
• Synonyms: BENZOIC-CARBOXY-13C ACID;BENZOIC ACID (CARBOXYL-13C);BENZOIC ACID-CARBOXY-13C1;BENZOIC ACID-ALPHA-13C;Benzoic acid-alpha-13C (99atom% 13C);BENZOIC-CARBOXY-13C ACID, 99 ATOM % 13C;benzoic acid-carboxy-13c;benzoic acid-α-13c
• CAS NO: 3880-99-7
• Molecular Formula: C₇H₆O₂
• Molecular Weight: 123.13
• Mol File: 3880-99-7.mol
• Article Data: 29

Chemical Properties

• Melting Point: 121-125 °C(lit.)
• Boiling Point: 249 °C(lit.)
• Flash Point: °C
• Appearance: /
• Density: 1.197g/cm³
• Refractive Index: 1.564
• Storage Temp.: Room Temperature
• Solubility: Ethanol (Slightly), Methanol (Slightly)
• CAS DataBase Reference: BENZOIC ACID-ALPHA-13C(CAS DataBase Reference)
• NIST Chemistry Reference: BENZOIC ACID-ALPHA-13C(3880-99-7)
• EPA Substance Registry System: BENZOIC ACID-ALPHA-13C(3880-99-7)

Safety Data

• Hazard Codes: Xn
• Statements: 22-37/38-41-42/43
• Safety Statements: 22-26-36
• WGK Germany: 3
• Hazardous Substances Data: 3880-99-7(Hazardous Substances Data)

Usage

General Description

BENZOIC ACID-ALPHA-13C is a compound that contains the chemical element carbon-13, which is a stable and non-radioactive isotope of carbon. This particular form of benzoic acid is labeled with carbon-13 at the alpha position, indicating that the isotope is located at the first carbon position in the chemical structure. Benzoic acid is a common food preservative and is also used in the production of various chemicals and pharmaceuticals. The addition of carbon-13 to the molecule allows for easy tracking and identification through nuclear magnetic resonance (NMR) spectroscopy, making it useful for research and analytical purposes.

InChI:InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i7+1

Upstream product

• 79341-52-9 1,2-Diphenyl-<1,2-13C2>ethan 
• 1111-72-4 carbon dioxide 
• 591-51-5 phenyllithium 
• 42181-97-5 benzyl <(18)O> alcohol 
• 52947-05-4 [α-13C]benzoyl chloride 
• 515-42-4 sodium phenylsulfonate 
• 110-89-4 piperidine 
• 155638-70-3 13C,²H>benzaldehyde 
• 98-88-4 benzoyl chloride 
• 1278530-64-5 C₇⁽¹³⁾CH₆O₃ 
• 54522-91-7 [α-13C]-benzyl alcohol 
• 1641-69-6 [13C]Carbon monoxide 
• 71-43-2 benzene 
• 51956-33-3 [13C]barium carbonate 

Downstream Products

• 36712-21-7 methyl [carboxyl-¹³C]benzoate 
• 3881-15-0 <13C>-Triphenylmethanol 
• 55103-29-2 13C-Triphenylmethan 
• 79341-52-9 1,2-Diphenyl-<1,2-13C2>ethan 
• 1278530-69-0 C₁₂⁽¹³⁾CH₁₃NOS 
• 447436-95-5 [1,1'-biphenyl]-4-yl 2-methylbenzoate 
• 852244-84-9 [carbonyl-13C]-S-2-pyridyl benzothioate 
• 10383-88-7 acetophenone-13C=O 
• 73569-85-4 <13C,18O2>benzoic acid 

Relevant articles and documents

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Amide Bond Formation via Aerobic Photooxidative Coupling of Aldehydes with Amines Catalyzed by a Riboflavin Derivative

We report an effective, operationally simple, and environmentally friendly system for the synthesis of tertiary amides by the oxidative coupling of aromatic or aliphatic aldehydes with amines mediated by riboflavin tetraacetate (RFTA), an inexpensive organic photocatalyst, and visible light using oxygen as the sole oxidant. The method is based on the oxidative power of an excited flavin catalyst and the relatively low oxidation potential of the hemiaminal formed by amine to aldehyde addition.

Palladium-Catalyzed Carbon Isotope Exchange on Aliphatic and Benzoic Acid Chlorides

An operationally simple protocol for a palladium-catalyzed 13CO and 14CO exchange with activated aliphatic and benzoic carbonyls is presented. Several 13C and 14C building blocks, natural product derivatives, an