3,5-Dimethyl-2-nitrobenzoic acid
3,5-Dimethyl-2-nitrobenzoic acid structure
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Common Name | 3,5-Dimethyl-2-nitrobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 52095-18-8 | Molecular Weight | 195.17200 | |
| Density | 1.333±0.06 g/cm3(Predicted) | Boiling Point | 363.5±30.0 °C(Predicted) | |
| Molecular Formula | C9H9NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 3,5-Dimethyl-2-nitrobenzoic acid (CAS号：52095-18-8) is an organic compound with molecular formula C9H9NO4 and molecular weight 195.17200. 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 | 3,5-Dimethyl-2-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 | 1.333±0.06 g/cm3(Predicted) |
|---|---|
| Boiling Point | 363.5±30.0 °C(Predicted) |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.17200 |
| Exact Mass | 195.05300 |
| PSA | 83.12000 |
| LogP | 2.43300 |
| InChIKey | HGFCXXRETYVGMH-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c([N+](=O)[O-])c(C(=O)O)c1 |
| Storage condition | 2-8°C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3,5-Dimethyl-2-... CAS#:52095-18-8 |
| Literature: Moorthy, Jarugu Narasimha; Senapati, Kalyan; Parida, Keshaba Nanda; Jhulki, Samik; Sooraj, Kunnikuruvan; Nair, Nisanth N. Journal of Organic Chemistry, 2011 , vol. 76, # 23 p. 9593 - 9601 |
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3,5-Dimethyl-2-... CAS#:52095-18-8 |
| Literature: Wu, Chengde; Decker, E. Radford; Blok, Natalie; Bui, Huong; You, Tony J.; Wang, Junmei; Bourgoyne, Andree R.; Knowles, Vippra; Berens, Kurt L.; Holland, George W.; Brock, Tommy A.; Dixon, Richard A. F. Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 1969 - 1986 |
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3,5-Dimethyl-2-... CAS#:52095-18-8 |
| Literature: Schmitz Justus Liebigs Annalen der Chemie, 1878 , vol. 193, p. 162,166 Full Text Show Details Bamberger; Demuth Chemische Berichte, 1901 , vol. 34, p. 29 |
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~%
3,5-Dimethyl-2-... CAS#:52095-18-8 |
| Literature: Schmitz Justus Liebigs Annalen der Chemie, 1878 , vol. 193, p. 162,166 |
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~%
3,5-Dimethyl-2-... CAS#:52095-18-8 |
| Literature: Schmitz Justus Liebigs Annalen der Chemie, 1878 , vol. 193, p. 162,166 Full Text Show Details Bamberger; Demuth Chemische Berichte, 1901 , vol. 34, p. 29 |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD12828399 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3,5-Dimethyl-2-nitrobenzoic acid? |
| A: InChIKey of 3,5-Dimethyl-2-nitrobenzoic acid is HGFCXXRETYVGMH-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 3,5-Dimethyl-2-nitrobenzoic acid? |
| A: Molecular formula of 3,5-Dimethyl-2-nitrobenzoic acid is C9H9NO4. |
| Q: What is the polar surface area (PSA) of 3,5-Dimethyl-2-nitrobenzoic acid? |
| A: Polar surface area (PSA) of 3,5-Dimethyl-2-nitrobenzoic acid is 83.12000. |
| Q: What are the storage conditions for 3,5-Dimethyl-2-nitrobenzoic acid? |
| A: Storage conditions for 3,5-Dimethyl-2-nitrobenzoic acid: 2-8°C. |
| Q: What is the LogP of 3,5-Dimethyl-2-nitrobenzoic acid? |
| A: LogP of 3,5-Dimethyl-2-nitrobenzoic acid is 2.43300. |
| Q: What is the boiling point of 3,5-Dimethyl-2-nitrobenzoic acid? |
| A: Boiling point of 3,5-Dimethyl-2-nitrobenzoic acid is 363.5±30.0 °C(Predicted). |
| Q: What is the SMILES notation of 3,5-Dimethyl-2-nitrobenzoic acid? |
| A: SMILES notation of 3,5-Dimethyl-2-nitrobenzoic acid is Cc1cc(C)c([N+](=O)[O-])c(C(=O)O)c1. |
| Q: What is the English name of 3,5-Dimethyl-2-nitrobenzoic acid? |
| A: The English name of 3,5-Dimethyl-2-nitrobenzoic acid is 3,5-Dimethyl-2-nitrobenzoic acid. |
| Q: What is the CAS number of 3,5-Dimethyl-2-nitrobenzoic acid? |
| A: CAS number of 3,5-Dimethyl-2-nitrobenzoic acid is 52095-18-8. |
| Q: What English synonyms does 3,5-Dimethyl-2-nitrobenzoic acid have? |
| A: English synonyms of 3,5-Dimethyl-2-nitrobenzoic acid: MFCD12828399. |
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. |