2-(Carboxymethyl)-4-nitrobenzoic acid
2-(Carboxymethyl)-4-nitrobenzoic acid structure
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Common Name | 2-(Carboxymethyl)-4-nitrobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 39585-32-5 | Molecular Weight | 225.155 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 497.5±35.0 °C at 760 mmHg | |
| Molecular Formula | C9H7NO6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 221.0±14.4 °C | |
Summary: 2-(carboxymethyl)-4-nitrobenzoic acid (Chinese name: 4-硝基羧基邻苯二甲酸)，CAS number 39585-32-5, molecular formula C9H7NO6, molecular weight 225.155. Boiling point: 497.5±35.0 °C, density: 1.6±0.1 g/cm3. 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 | 2-(carboxymethyl)-4-nitrobenzoic 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 | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 497.5±35.0 °C at 760 mmHg |
| Molecular Formula | C9H7NO6 |
| Molecular Weight | 225.155 |
| Flash Point | 221.0±14.4 °C |
| Exact Mass | 225.027344 |
| PSA | 120.42000 |
| LogP | 1.18 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.639 |
| InChIKey | CKXXWBQEZGLFMV-UHFFFAOYSA-N |
| SMILES | O=C(O)Cc1cc([N+](=O)[O-])ccc1C(=O)O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2917399090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~88%
2-(Carboxymethy... CAS#:39585-32-5 |
| Literature: PFIZER INC. Patent: EP887345 A1, 1998 ; |
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2-(Carboxymethy... CAS#:39585-32-5 |
| Literature: Quallich, George J.; Makowski, Teresa W.; Sanders, Andrew F.; Urban, Frank J.; Vazquez, Enrique Journal of Organic Chemistry, 1998 , vol. 63, # 12 p. 4116 - 4119 |
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2-(Carboxymethy... CAS#:39585-32-5 |
| Literature: Quallich, George J.; Makowski, Teresa W.; Sanders, Andrew F.; Urban, Frank J.; Vazquez, Enrique Journal of Organic Chemistry, 1998 , vol. 63, # 12 p. 4116 - 4119 |
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~%
2-(Carboxymethy... CAS#:39585-32-5 |
| Literature: Tsou, Hwei-Ru; Otteng, Mercy; Tran, Tritin; Floyd Jr., M. Brawner; Reich, Marvin; Birnberg, Gary; Kutterer, Kristina; Ayral-Kaloustian, Semiramis; Ravi, Malini; Nilakantan, Ramaswamy; Grillo, Mary; McGinnis, John P.; Rabindran, Sridhar K. Journal of Medicinal Chemistry, 2008 , vol. 51, # 12 p. 3507 - 3525 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 5 | |
CAS#:186390-74-9
CAS#:186390-77-2
CAS#:207804-97-5
CAS#:149910-66-7
CAS#:199014-22-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2917399090 |
|---|---|
| Summary | 2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-carboxy-5-nitrobenzeneacetic acid |
| 4-nitrohomophthalic acid |
| RW3285 |
| 2-(Carboxymethyl)-4-nitrobenzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-(carboxymethyl)-4-nitrobenzoic acid? |
| A: The English name of 2-(carboxymethyl)-4-nitrobenzoic acid is 2-(carboxymethyl)-4-nitrobenzoic acid. |
| Q: What is the InChIKey of 2-(carboxymethyl)-4-nitrobenzoic acid? |
| A: InChIKey of 2-(carboxymethyl)-4-nitrobenzoic acid is CKXXWBQEZGLFMV-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2-(carboxymethyl)-4-nitrobenzoic acid? |
| A: Molecular weight of 2-(carboxymethyl)-4-nitrobenzoic acid is 225.155. |
| Q: What is the molecular formula of 2-(carboxymethyl)-4-nitrobenzoic acid? |
| A: Molecular formula of 2-(carboxymethyl)-4-nitrobenzoic acid is C9H7NO6. |
| Q: What is the boiling point of 2-(carboxymethyl)-4-nitrobenzoic acid? |
| A: Boiling point of 2-(carboxymethyl)-4-nitrobenzoic acid is 497.5±35.0 °C at 760 mmHg. |
| Q: What are the downstream products of 2-(carboxymethyl)-4-nitrobenzoic acid? |
| A: Related downstream products(CAS) of 2-(carboxymethyl)-4-nitrobenzoic acid: 186390-74-9;186390-77-2;207804-97-5;149910-66-7;199014-22-7. |
| Q: What is the CAS number of 2-(carboxymethyl)-4-nitrobenzoic acid? |
| A: CAS number of 2-(carboxymethyl)-4-nitrobenzoic acid is 39585-32-5. |
| Q: What English synonyms does 2-(carboxymethyl)-4-nitrobenzoic acid have? |
| A: English synonyms of 2-(carboxymethyl)-4-nitrobenzoic acid: 2-carboxy-5-nitrobenzeneacetic acid, 4-nitrohomophthalic acid, RW3285, 2-(Carboxymethyl)-4-nitrobenzoic acid. |
| Q: What is the polar surface area (PSA) of 2-(carboxymethyl)-4-nitrobenzoic acid? |
| A: Polar surface area (PSA) of 2-(carboxymethyl)-4-nitrobenzoic acid is 120.42000. |
| Q: What is the SMILES notation of 2-(carboxymethyl)-4-nitrobenzoic acid? |
| A: SMILES notation of 2-(carboxymethyl)-4-nitrobenzoic acid is O=C(O)Cc1cc([N+](=O)[O-])ccc1C(=O)O. |
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. |