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
• Article Data: 3

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

General Description

ANILINE (13C6) is a compound composed of carbon-13 isotopes, specifically six carbon-13 atoms, in the aniline molecule. Aniline is a colorless to pale yellow liquid with a characteristic odor, and it is used in the production of a wide variety of industrial chemicals, including dyes, pharmaceuticals, and rubber processing chemicals. Carbon-13 is a stable isotope of carbon, and its presence in aniline allows for the study of the compound's behavior and interactions using nuclear magnetic resonance (NMR) spectroscopy and other analytical techniques. The labeling of aniline with carbon-13 provides a useful tool for understanding the chemical properties and reactivity of this important industrial compound.

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

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

Downstream Products

• 176850-21-8 N-Boc-aniline-[phenyl-13C₆] 
• 850312-35-5 2,4-dichloroaniline-¹³C₆ 
• 878143-29-4 2-[13C₆]anilinoacetaldehyde diethyl acetal 

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.

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.