3,4,5-Triiodobenzoic acid
3,4,5-Triiodobenzoic acid structure
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Common Name | 3,4,5-Triiodobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 2338-20-7 | Molecular Weight | 499.81100 | |
| Density | 2.971 g/cm3 | Boiling Point | 446.3ºC at 760 mmHg | |
| Molecular Formula | C7H3I3O2 | Melting Point | 292-293ºC | |
| MSDS | N/A | Flash Point | 223.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,4,5-Triiodobenzoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 2.971 g/cm3 |
|---|---|
| Boiling Point | 446.3ºC at 760 mmHg |
| Melting Point | 292-293ºC |
| Molecular Formula | C7H3I3O2 |
| Molecular Weight | 499.81100 |
| Flash Point | 223.7ºC |
| Exact Mass | 499.72700 |
| PSA | 37.30000 |
| LogP | 3.19860 |
| Vapour Pressure | 9.48E-09mmHg at 25°C |
| InChIKey | UCBKDZNMPMBJAB-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cc(I)c(I)c(I)c1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | 24/25 |
|---|---|
| HS Code | 2916399015 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~57%
3,4,5-Triiodobe... CAS#:2338-20-7 |
| Literature: Kraszkiewicz, Lukasz; Sosnowski, MacIej; Skulski, Lech Tetrahedron, 2004 , vol. 60, # 41 p. 9113 - 9119 |
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~30%
3,4,5-Triiodobe... CAS#:2338-20-7 |
| Literature: Mattern, Daniell Lewis Journal of Organic Chemistry, 1984 , vol. 49, # 17 p. 3051 - 3053 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 1 | |
CAS#:53279-79-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399015 |
|---|---|
| Summary | 2916399015 2,3,5-triiodobenzoic acid。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:0.0%。MFN tarrif:6.5%。general tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of purified human kidney thiopurine methyltransferase (TPMT)
Source: ChEMBL
Target: Thiopurine S-methyltransferase
External Id: CHEMBL814140
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Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4513082
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Name: SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f...
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL4495582
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,4,5-Triiodbenzoesaeure |
| 3,4,5-triiodo-benzoic acid |
| 3,4,5-Trijod-benzoesaeure |
| 3,5-Triiodobenzoic acid |
| EINECS 219-050-1 |
| BENZOIC ACID,3,4,5-TRIIODO |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 3,4,5-Triiodobenzoic acid? |
| A: Related downstream products(CAS) of 3,4,5-Triiodobenzoic acid: 53279-79-1. |
| Q: What are the upstream materials of 3,4,5-Triiodobenzoic acid? |
| A: Related upstream materials(CAS) of 3,4,5-Triiodobenzoic acid: 619-58-9;65-85-0. |
| Q: What is the molecular weight of 3,4,5-Triiodobenzoic acid? |
| A: Molecular weight of 3,4,5-Triiodobenzoic acid is 499.81100. |
| Q: What is the safety information for 3,4,5-Triiodobenzoic acid? |
| A: Safety information for 3,4,5-Triiodobenzoic acid: 24/25. |
| Q: What is the polar surface area (PSA) of 3,4,5-Triiodobenzoic acid? |
| A: Polar surface area (PSA) of 3,4,5-Triiodobenzoic acid is 37.30000. |
| Q: What is the CAS number of 3,4,5-Triiodobenzoic acid? |
| A: CAS number of 3,4,5-Triiodobenzoic acid is 2338-20-7. |
| Q: What is the boiling point of 3,4,5-Triiodobenzoic acid? |
| A: Boiling point of 3,4,5-Triiodobenzoic acid is 446.3ºC at 760 mmHg. |
| Q: What is the English name of 3,4,5-Triiodobenzoic acid? |
| A: The English name of 3,4,5-Triiodobenzoic acid is 3,4,5-Triiodobenzoic acid. |
| Q: What is the LogP of 3,4,5-Triiodobenzoic acid? |
| A: LogP of 3,4,5-Triiodobenzoic acid is 3.19860. |
| Q: What English synonyms does 3,4,5-Triiodobenzoic acid have? |
| A: English synonyms of 3,4,5-Triiodobenzoic acid: 3,4,5-Triiodbenzoesaeure, 3,4,5-triiodo-benzoic acid, 3,4,5-Trijod-benzoesaeure, 3,5-Triiodobenzoic acid, EINECS 219-050-1, BENZOIC ACID,3,4,5-TRIIODO. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |