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Page 101
>> Benzoic-2,3,4,5,6-D5 acid
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Benzoic-2,3,4,5,6-D5 acid [1079-02-3]
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| Name |
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Benzoic-2,3,4,5,6-D5 acid |
| Synonyms |
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217158_Aldrich; Benzoic Acid-2,3,4,5,6-D5; Benzoic-D5 Acid (Phenyl-D5) |
| Molecular Formula |
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C7HD5O2 |
| Molecular Weight |
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127.15 |
| CAS Registry Number |
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1079-02-3 |
| EINECS |
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214-089-0 |
| SMILES |
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C1(=C(C(=C(C(=C1C(O)=O)[2H])[2H])[2H])[2H])[2H] |
| InChI |
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1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D |
| InChIKey |
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WPYMKLBDIGXBTP-RALIUCGRSA-N |
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Properties
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Desity |
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1.247g/cm3 (Cal.) |
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Boiling point |
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249.251°C at 760 mmHg (Cal.) |
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Flash point |
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111.394°C (Cal.) |
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References
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Nana Zhang, Binyao Li, Hongban Zhong and Jianhui Huang. Synthesis of N-alkyl and N-aryl isoquinolones and derivatives via Pd-catalysed C–H activation and cyclization reactions, Org. Biomol. Chem., 2012, 10, 9429.
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