Benzoic acid-¹³C₇ - ≥99 atom% 13C , CAS No.222412-89-7

CAS: 222412-89-7 Cat. No.: B473872 Formula: ¹³C₆H₅¹³CO₂H Molecular Weight: 129.07 EC Number: 694-268-1

GRADE & PURITY ≥96%(SDS-PAGE)

Synonyms

(carboxy-~13~C_7_)Benzoic acid | Benzoic acid-13C7 | Benzoic acid-13C7, 99 atom % 13C | (1,2,3,4,5,6-13C6)cyclohexatrienecarboxylic acid | DTXSID70584342 | J-014604

Storage

Room temperature

Specifications

Synonyms

(carboxy-~13~C_7_)Benzoic acid | Benzoic acid-13C7 | Benzoic acid-13C7, 99 atom % 13C | (1,2,3,4,5,6-13C6)cyclohexatrienecarboxylic acid | DTXSID70584342 | J-014604

Specifications & Purity

≥99 atom% 13C

Storage

Room temperature

Purity

≥96%(SDS-PAGE)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=O)O
• IUPAC Name: (1,2,3,4,5,6-13C6)cyclohexatrienecarboxylic acid
• InChIKey: WPYMKLBDIGXBTP-BNUYUSEDSA-N
• INCHI: 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
• Isomeric SMILES: [13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)[13C](=O)O
• UN Number: 3077
• Molecular Weight: 129.07
• Reaxy-Rn: 8325189
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8325189&ln=

Chemical and Physical Properties

• Flash Point(°F): 249.8 °F - closed cup
• Flash Point(°C): 121 °C - closed cup
• Boil Point(°C): 249℃ (lit.)
• Melt Point(°C): 121-125℃ (lit.)

Frequently Asked Questions

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 222412-89-7, the molecular formula is C7H6O2, and the molecular weight is 129.07 g/mol. InChIKey WPYMKLBDIGXBTP-BNUYUSEDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.