112630-77-0

Basic information

• Product Name: BROMOBENZENE (13C6)
• Synonyms: BROMOBENZENE (13C6);BROMOBENZENE-13C6, 99 ATOM % 13C;Benzene-13C6, bromo-
• CAS NO: 112630-77-0
• Molecular Formula: C₆H₅Br
• Molecular Weight: 163.06
• Product Categories: Alphabetical Listings;B;Stable Isotopes
• Mol File: 112630-77-0.mol
• Article Data: 4

Chemical Properties

• Melting Point: −31 °C(lit.)
• Boiling Point: 156 °C(lit.)
• Flash Point: 124 °F
• Appearance: /
• Density: 1.547 g/mL at 25 °C
• Refractive Index: n20/D 1.559(lit.)
• CAS DataBase Reference: BROMOBENZENE (13C6)(CAS DataBase Reference)
• NIST Chemistry Reference: BROMOBENZENE (13C6)(112630-77-0)
• EPA Substance Registry System: BROMOBENZENE (13C6)(112630-77-0)

Safety Data

• Hazard Codes: Xi,N
• Statements: 10-38-51/53
• Safety Statements: 61
• RIDADR: UN 2514 3/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 112630-77-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1

Upstream product

• 89059-34-7 [¹³C₆]phenol 
• 32488-44-1 benzene-⁽¹³⁾C₆ 

Downstream Products

• 222412-89-7 [13C₇]benzoic acid 
• 1538556-35-2 2-nitro-1-propene-1-yl-[¹³C₆]-benzene 
• 153489-14-6 [¹³C₆]-benzaldehyde 
• 100849-37-4 [13C₆]aniline 
• 152571-52-3 anisole-1,2,3,4,5,6-¹³C₆ 
• 1466545-66-3 13C-labeled tetraphenylphosphonium bromide 
• 1338070-96-4 [⁽¹³⁾C₆]-1,3-dibromobenzene 
• 1338071-05-8 [⁽¹³⁾C₆]-2,4-dibromoaniline hydrochloride 
• 1338070-94-2 [⁽¹³⁾C₆]-2,6-dibromoaniline hydrochloride 
• 1338070-95-3 [⁽¹³⁾C₆]-2,4,6-tribromoaniline hydrochloride 
• 1338071-03-6 [⁽¹³⁾C₆]-p-bromoaniline hydrochloride 
• 1338070-93-1 [⁽¹³⁾C₆]-o-bromoaniline hydrochloride 
• 1173022-54-2 [(13)C6]-4-nitrobromobenzene 

Relevant articles and documents

Synthesis of phenyl-13C6-ethene

In an effort to prepare an improved carbon-rich target material for the accelerator production of 13N labelled ammonia for use in positron emission tomography (PET), sulfonated poly(styrene/divinylbenzene) has been evaluated. The preparation of this target material using naturally abundant carbon-12 compounds was investigated in an effort to optimize conditions for the preparation of the analogous carbon-13 target material which may provide a cost-effective method for producing nitrogen-13 labelled ammonia via proton irradiation. As part of this study, phenyl-13C6-ethene was synthesized in three steps starting from benzene-13C6.

Synthesis of [13C6]-labelled phenethylamine derivatives for drug quantification in biological samples

The availability of high-quality 13C-labelled internal standards will improve accurate quantification of narcotics and drugs in biological samples. Thus, the synthesis of 10 [13C6]-labelled phenethylamine derivatives, namely amphetamine, methamphetamine, 3,4-methylenedioxyamphetamine, 3,4-methylenedioxymethamphetamine, 3,4-methylenedioxy-N-ethylamphetamine, 4-methoxyamphetamine, 4-methoxymethamphetamine, 3,5-dimethoxyphenethylamine 4-bromo-2,5- dimethoxyphenethylamine and 2,5-dimethoxy-4-iodophenethylamine, have been undertaken. [13C6]-Phenol proved to be an excellent starting material for making 13C-labelled narcotic substances in the phenethylamine class, and a developed Stille-type coupling enabled an efficient synthesis of the 3,4-methylenedioxy and 4-methoxy derivatives. The pros and cons of alternative routes and transformations are also discussed. The [ 13C6]-labelled compounds are intended for use as internal standards in forensic analysis, health sciences and metabolomics studies by gas chromatography-mass spectrometry and liquid chromatography-tandem mass spectrometry. Copyright