100849-37-4

Basic information

• Product Name: ANILINE (13C6)
• Synonyms: ANILINE (13C6);ANILINE-13C6, 99 ATOM % 13C;13C Labeled aniline;Aminobenzene-13C6;Benzeneamine-13C6;Phenylamine-13C6
• CAS NO: 100849-37-4
• Molecular Formula: C₆H₇N
• Molecular Weight: 99.18
• Product Categories: A;Alphabetical Listings;Stable Isotopes;Amines, Aromatics, Isotope Labelled Compounds
• Mol File: 100849-37-4.mol

Chemical Properties

• Melting Point: −6 °C(lit.)
• Boiling Point: 184 °C(lit.)
• Flash Point: 158 °F
• Appearance: /
• Density: 1.087 g/mL at 25 °C
• Refractive Index: n20/D 1.586(lit.)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: ANILINE (13C6)(CAS DataBase Reference)
• NIST Chemistry Reference: ANILINE (13C6)(100849-37-4)
• EPA Substance Registry System: ANILINE (13C6)(100849-37-4)

Safety Data

• Hazard Codes: T,N
• Statements: 20/21/22-40-48/23/24/25-50-68-43-41-23/24/25
• Safety Statements: 28-36/37-45-61-63-46-36/37/39-27-26
• RIDADR: UN 1547 6.1/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 100849-37-4(Hazardous Substances Data)

Usage

Uses

Used in Chemical Research and Analysis:
ANILINE (13C6) is used as a research compound for studying the chemical properties and reactivity of aniline through advanced analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy. The presence of carbon-13 isotopes allows for detailed investigation of the molecule's behavior and interactions, providing insights into its structure and function.
Used in Industrial Chemical Production:
ANILINE (13C6) is used as a key intermediate in the production of various industrial chemicals, including dyes, pharmaceuticals, and rubber processing chemicals. Its isotopic labeling with carbon-13 aids in tracking and understanding the compound's role in chemical reactions and synthesis processes, potentially leading to more efficient and targeted production methods.
Used in Pharmaceutical Development:
In the pharmaceutical industry, ANILINE (13C6) is used as a labeled compound for the development and testing of new drugs. The carbon-13 labeling allows researchers to monitor the compound's metabolic pathways and interactions with biological systems, facilitating the design of more effective and safer medications.
Used in Material Science:
ANILINE (13C6) is utilized in material science research to study the properties of polymers and other materials derived from aniline. The isotopic labeling provides a means to investigate the molecular structure, stability, and performance of these materials, contributing to the development of advanced materials with tailored properties for specific applications.

InChI:InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1+1,2+1,3+1,4+1,5+1,6+1

Upstream product

• 112630-77-0 bromobenzene-1,2,3,4,5,6-¹³C₆ 
• 32488-44-1 benzene-⁽¹³⁾C₆ 
• 89059-37-0 <(13)C6> nitrobenzene 

Downstream Products

• 1136018-59-1 [13C₆]-2,4,6-trichloroaniline hydrochloride 
• 201741-03-9 [¹³C₆]acetanilide 
• 176850-21-8 N-Boc-aniline-[phenyl-13C₆] 

Relevant articles and documents

DETERMINATION OF 3,3',4,4'-TETRACHLOROAZOBENZENE IN WATER BY ISOTOPE DILUTION GAS CHROMATOGRAPHY/HIGH RESOLUTION MASS SPECTROMETRY

A methodology, based on gas chromatography/high resolution mass spectrometry selected ion monitoring (GC/HRMS SIM) has been developed for the determination of 3,3',4,4'-tetrachloro-azobenzene (TCAB), a potential carcinogen, in water. As internal standard we prepared labelled TCAB, from labelled benzene. TCAB was extracted from water by hexane followed by a cleanup column chromatography over basic alumina. Recoveries of TCAB range from 80.0-88.3 percent. The detection limit of TCAB is about 50 fg of TCAB or 5 ppq in 1,000 mL of water.

Stable isotope labeled zearalenone and synthesis method thereof

The invention discloses stable isotope labeled zearalenone and a synthesis method thereof. The method comprises the following steps: by taking stable isotope C-labeled benzene-C6 as a starting raw material, carrying out nitration reaction, nitro reduction reaction, benzene ring bromination reaction, amino elimination reaction, methoxylation reaction, aldehyde group oxidation reaction and demethylation reaction to obtain stable isotope C-labeled 2, 4, 6-trihydroxybenzoic acid-benzene ring-C6, and then carrying out lactonization reaction of hydroxyl and carboxyl, methyl reaction in Mitsunobu reaction, Stille reaction, reaction of oxidizing hydroxyl into aldehyde group, esterification reaction of carboxylic acid and alcohol, reaction of oxidizing hydroxyl into ketone carbonyl group, olefin metathesis reaction, olefin selective reduction reaction and the like. According to the invention, stable isotope labeled zearalenone-benzene ring-6 is obtained through a total synthesis method for the first time, raw materials are cheap and easy to obtain, reaction products in all steps are easy to separate and purify, the yield is high, and the chemical purity and the stable isotope abundance both reach 98% or above.

A stable isotope labeling prohibited pigment synthesis method

The invention relates to a synthesizing method for a prohibited pigment labeled by a stable isotope. According to the synthesizing method, bromobenzene labeled by a stable isotope D or 13C is aminated and sulfonated to synthesize an intermediate sodium sulfanilate labeled by the stable isotope D or 13C, or the bromobenzene is taken as the raw materials and then aminated and sulfonated with an ammoniation reagent labeled by a stable isotope 15 N to synthesize the intermediate sodium sulfanilate labeled by the stable isotope 15N, and then diazotizing and coupling are performed to synthesize the prohibited pigment labeled by the stable isotope D or 15N or 13C. Compared with the prior art, the synthesizing method has the advantages that the process route is simple, the prohibited pigment labeled by the stable isotope is easy to synthesize, the product is easy to separate and purify, the chemical purity of the product is more than 99.0 percent, the isotope abundance is more than 98.0 percent, the requirements of trace detection in the field of food safety can be fully met, and the good economical efficiency and use value are achieved.