3-Chloro-5-(methoxycarbonyl)benzoic acid
3-Chloro-5-(methoxycarbonyl)benzoic acid structure
|
Common Name | 3-Chloro-5-(methoxycarbonyl)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 153203-57-7 | Molecular Weight | 214.602 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 372.5±27.0 °C at 760 mmHg | |
| Molecular Formula | C9H7ClO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 179.1±23.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-chloro-5-methoxycarbonylbenzoic 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 372.5±27.0 °C at 760 mmHg |
| Molecular Formula | C9H7ClO4 |
| Molecular Weight | 214.602 |
| Flash Point | 179.1±23.7 °C |
| Exact Mass | 214.003281 |
| PSA | 63.60000 |
| LogP | 2.90 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.571 |
| InChIKey | HLARAVKGVUMKCY-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc(Cl)cc(C(=O)O)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~74%
3-Chloro-5-(met... CAS#:153203-57-7 |
| Literature: Gerritz, Samuel; Shi, Shuhao; Zhu, Shirong Patent: US2006/287287 A1, 2006 ; Location in patent: Page/Page column 20 ; US 20060287287 A1 |
|
~45%
3-Chloro-5-(met... CAS#:153203-57-7 |
| Literature: Boehringer Ingelheim International GmbH Patent: US2006/223759 A1, 2006 ; Location in patent: Page/Page column 201 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Chloroisophthalic acid monomethyl ester |
| 1,3-Benzenedicarboxylic acid, 5-chloro-, monomethyl ester |
| 3-Chloro-5-(methoxycarbonyl)benzoic acid |
| 1,3-Benzenedicarboxylicacid,5-chloro-,1-methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 3-chloro-5-methoxycarbonylbenzoic acid have? |
| A: English synonyms of 3-chloro-5-methoxycarbonylbenzoic acid: 5-Chloroisophthalic acid monomethyl ester, 1,3-Benzenedicarboxylic acid, 5-chloro-, monomethyl ester, 3-Chloro-5-(methoxycarbonyl)benzoic acid, 1,3-Benzenedicarboxylicacid,5-chloro-,1-methyl ester. |
| Q: What is the SMILES notation of 3-chloro-5-methoxycarbonylbenzoic acid? |
| A: SMILES notation of 3-chloro-5-methoxycarbonylbenzoic acid is COC(=O)c1cc(Cl)cc(C(=O)O)c1. |
| Q: What is the boiling point of 3-chloro-5-methoxycarbonylbenzoic acid? |
| A: Boiling point of 3-chloro-5-methoxycarbonylbenzoic acid is 372.5±27.0 °C at 760 mmHg. |
| Q: What is the LogP of 3-chloro-5-methoxycarbonylbenzoic acid? |
| A: LogP of 3-chloro-5-methoxycarbonylbenzoic acid is 2.90. |
| Q: What are the upstream materials of 3-chloro-5-methoxycarbonylbenzoic acid? |
| A: Related upstream materials(CAS) of 3-chloro-5-methoxycarbonylbenzoic acid: 20330-90-9;28179-47-7. |
| Q: What is the molecular weight of 3-chloro-5-methoxycarbonylbenzoic acid? |
| A: Molecular weight of 3-chloro-5-methoxycarbonylbenzoic acid is 214.602. |
| Q: What is the CAS number of 3-chloro-5-methoxycarbonylbenzoic acid? |
| A: CAS number of 3-chloro-5-methoxycarbonylbenzoic acid is 153203-57-7. |
| Q: What is the InChIKey of 3-chloro-5-methoxycarbonylbenzoic acid? |
| A: InChIKey of 3-chloro-5-methoxycarbonylbenzoic acid is HLARAVKGVUMKCY-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 3-chloro-5-methoxycarbonylbenzoic acid? |
| A: Molecular formula of 3-chloro-5-methoxycarbonylbenzoic acid is C9H7ClO4. |
| Q: What is the polar surface area (PSA) of 3-chloro-5-methoxycarbonylbenzoic acid? |
| A: Polar surface area (PSA) of 3-chloro-5-methoxycarbonylbenzoic acid is 63.60000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |