2-Chlorobenzoic acid 13C6

Product Name 2-Chlorobenzoic acid 13C6
CAT No. CS-CX-00418
CAS No. 125970-63-0
Category Stable Isotopes
Stock IN-Stock
Mol. Wt. 162.52 g/mol
Mol. For. C¹³C₆H₅ClO₂
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Purity 95%
Smileys OC([13C]([13CH]=[13CH][13CH]=[13CH]1)=[13C]1Cl)=O
Canonical Smiles C1=CC=C(C(=C1)C(=O)O)Cl
InchIKey IKCLCGXPQILATA-IDEBNGHGSA-N
Inchl InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
IUPAC 6-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Controlled No
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2-Chlorobenzoic acid 13C6 is a chemical compound that belongs to the family of benzoic acids. This chemical is used in various industrial applications such as in the production of dyes, pharmaceuticals, and agrochemicals. It is also used as a starting material for the synthesis of other organic compounds. The carbon-13 isotope label in this compound, 13C6, is often used in research studies that involve the analysis of organic molecules using nuclear magnetic resonance (NMR) spectroscopy. The chemical formula of 2-Chlorobenzoic acid 13C6 is C7H3ClO2. This compound has a molecular weight of 181.55 g/mol. It is a white crystalline powder that is soluble in water and organic solvents like methanol and ethanol. The melting point of this compound is 141-145°C. In terms of its chemical properties, 2-Chlorobenzoic acid 13C6 is a weak acid with a pKa value of 3.98. It can undergo various chemical reactions such as esterification, amidation, and halogenation. This compound is also known to be toxic and can cause skin irritation and respiratory problems upon exposure. Overall, 2-Chlorobenzoic acid 13C6 is a versatile compound that is widely used in the chemical industry. Its carbon-13 isotope label makes it a useful tool in NMR spectroscopy studies, while its chemical properties allow it to be used in various chemical reactions. However, proper precautions must be taken when handling this compound due to its potential toxicity.

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