3,6-Dichlorosalicylic acid
3,6-Dichlorosalicylic acid structure
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Common Name | 3,6-Dichlorosalicylic acid | ||
|---|---|---|---|---|
| CAS Number | 3401-80-7 | Molecular Weight | 207.01100 | |
| Density | 1.665 g/cm3 | Boiling Point | 306.7ºC at 760 mmHg | |
| Molecular Formula | C7H4Cl2O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 139.3ºC | |
Summary: 3,6-Dichloro-2-hydroxybenzoic acid, also known as 3,6-Dichlorosalicylic acid, with CAS number 3401-80-7, has a molecular formula of C7H4Cl2O3 and a molecular weight of 207.01100. The boiling point is 306.7ºC, and it should be stored at room temperature in a dry environment. This compound is an intermediate in the synthesis of the herbicide dichlorophen. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,6-dichloro-2-hydroxybenzoic 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 | 1.665 g/cm3 |
|---|---|
| Boiling Point | 306.7ºC at 760 mmHg |
| Molecular Formula | C7H4Cl2O3 |
| Molecular Weight | 207.01100 |
| Flash Point | 139.3ºC |
| Exact Mass | 205.95400 |
| PSA | 57.53000 |
| LogP | 2.39720 |
| Index of Refraction | 1.641 |
| InChIKey | FKIKPQHMWFZFEB-UHFFFAOYSA-N |
| SMILES | O=C(O)c1c(Cl)ccc(Cl)c1O |
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.
| HS Code | 2918290000 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3,6-Dichlorosal... CAS#:3401-80-7 |
| Literature: US4161611 A1, ; |
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3,6-Dichlorosal... CAS#:3401-80-7 |
| Literature: US4232172 A1, ; |
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3,6-Dichlorosal... CAS#:3401-80-7 |
| Literature: ACS Chemical Biology, , vol. 8, # 8 p. 1687 - 1691 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
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| DownStream 1 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918290000 |
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| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff: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: Toxicity in po dosed Rattus norvegicus (rat)
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3059484
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Name: Inhibition of dipeptidyl peptidase 4 (unknown origin)
Source: ChEMBL
Target: Dipeptidyl peptidase 4
External Id: CHEMBL3074800
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,6-DICHLOROSALICYLIC ACID |
| 2-Hydroxy-3,6-dichlorobenzoic acid |
| 3,6-Dichlor-2-hydroxy-benzoesaeure |
| 2-hydroxy-3,5-dichlorobenzoic acid |
| Benzoic acid,3,6-dichloro-2-hydroxy |
| EINECS 222-275-8 |
| MFCD00155381 |
| 3,6-Dichloro-2-hydroxy-benzoic acid |
| Salicylic acid,3,6-dichloro |
| 2-Oxy-3,6-dichlorobenzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 3,6-dichloro-2-hydroxybenzoic acid have? |
| A: English synonyms of 3,6-dichloro-2-hydroxybenzoic acid: 3,6-DICHLOROSALICYLIC ACID, 2-Hydroxy-3,6-dichlorobenzoic acid, 3,6-Dichlor-2-hydroxy-benzoesaeure, 2-hydroxy-3,5-dichlorobenzoic acid, Benzoic acid,3,6-dichloro-2-hydroxy, EINECS 222-275-8, MFCD00155381, 3,6-Dichloro-2-hydroxy-benzoic acid, Salicylic acid,3,6-dichloro, 2-Oxy-3,6-dichlorobenzoic acid. |
| Q: What is the InChIKey of 3,6-dichloro-2-hydroxybenzoic acid? |
| A: InChIKey of 3,6-dichloro-2-hydroxybenzoic acid is FKIKPQHMWFZFEB-UHFFFAOYSA-N. |
| Q: What is the boiling point of 3,6-dichloro-2-hydroxybenzoic acid? |
| A: Boiling point of 3,6-dichloro-2-hydroxybenzoic acid is 306.7ºC at 760 mmHg. |
| Q: What is the CAS number of 3,6-dichloro-2-hydroxybenzoic acid? |
| A: CAS number of 3,6-dichloro-2-hydroxybenzoic acid is 3401-80-7. |
| Q: What are the upstream materials of 3,6-dichloro-2-hydroxybenzoic acid? |
| A: Related upstream materials(CAS) of 3,6-dichloro-2-hydroxybenzoic acid: 60-29-7;583-78-8;68938-81-8;1918-00-9. |
| Q: What is the LogP of 3,6-dichloro-2-hydroxybenzoic acid? |
| A: LogP of 3,6-dichloro-2-hydroxybenzoic acid is 2.39720. |
| Q: What is the SMILES notation of 3,6-dichloro-2-hydroxybenzoic acid? |
| A: SMILES notation of 3,6-dichloro-2-hydroxybenzoic acid is O=C(O)c1c(Cl)ccc(Cl)c1O. |
| Q: What is the English name of 3,6-dichloro-2-hydroxybenzoic acid? |
| A: The English name of 3,6-dichloro-2-hydroxybenzoic acid is 3,6-dichloro-2-hydroxybenzoic acid. |
| Q: What is the molecular formula of 3,6-dichloro-2-hydroxybenzoic acid? |
| A: Molecular formula of 3,6-dichloro-2-hydroxybenzoic acid is C7H4Cl2O3. |
| Q: What is the polar surface area (PSA) of 3,6-dichloro-2-hydroxybenzoic acid? |
| A: Polar surface area (PSA) of 3,6-dichloro-2-hydroxybenzoic acid is 57.53000. |
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. |