2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE (CAS 2961-87-7) — formula C14H8INO5, molecular weight 397.12.
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE (CAS 2961-87-7) is classified under Food Additives, with molecular formula C14H8INO5 and molecular weight 397.12, and serves as a key raw material in the food and beverage industry — commonly applied as a food additive, nutritional supplement, or processing aid where regulatory-grade purity is required. Jinan Shenghe Chemical Co., Ltd. supplies 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 2961-87-7 |
|---|---|
| Molecular Formula | C14H8INO5 |
| Molecular Weight | 397.12 |
| LogP | 3.2 |
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE is a chemical compound with CAS registry number 2961-87-7 and molecular formula C14H8INO5 (molecular weight 397.12).
CAS number: 2961-87-7
Its molecular formula C14H8INO5 comprises 14 C, 8 H, 1 I, 1 N, 5 O atoms.
Also known as: 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE · 2,4,6-环庚三烯-1-酮, 2-羟基-3-碘-, 对硝基苯甲酸酯
The CAS registry number of 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE is 2961-87-7.
Molecular formula C14H8INO5, molecular weight 397.12.
It is also registered under: 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE, 2,4,6-环庚三烯-1-酮, 2-羟基-3-碘-, 对硝基苯甲酸酯.
Independent reference data for 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE (CAS 2961-87-7), compiled from public chemistry databases.
| CAS 号 | 2961-87-7 |
|---|---|
| PubChem CID | 18074 |
| 分子式 | C14H8INO5 |
| IUPAC 名称 | (2-iodo-7-oxocyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate |
| UNII（FDA） | I0MHR2XFA0 |
| Molecular Weight | 397.12 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 396.94472 |
| Monoisotopic Mass | 396.94472 |
| Topological Polar Surface Area | 89.2 |
| Heavy Atom Count | 21 |
I0MHR2XFA0; 2961-87-7; NSC 85776; 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE; BRN 2001865; UNII-I0MHR2XFA0; NSC-85776; 2-Hydroxy-3-iodo-2,4,6-cycloheptatrien-1-one p-nitrobenzoate; DTXSID10183797; RefChem:197789; DTXCID50106288; NSC85776; CHEMBL1993051; 2-iodo-7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate; WLN: L7VJ BOVR DNW& CI; 2-Hydroxy-3-iodo-2,6-cycloheptatrien-1-one p-nitrobenzoate
2,4,6-环庚三烯-1-酮, 2-羟基-3-碘-, 对硝基苯甲酸酯 · CAS 2961-87-7 · C14H8INO5. UNII I0MHR2XFA0.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.