3-Butoxy-4-nitrobenzoic acid
3-Butoxy-4-nitrobenzoic acid structure
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Common Name | 3-Butoxy-4-nitrobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 72101-53-2 | Molecular Weight | 239.22500 | |
| Density | 1.277g/cm3 | Boiling Point | 422.4ºC at 760 mmHg | |
| Molecular Formula | C11H13NO5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 209.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Butoxy 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 | 1.277g/cm3 |
|---|---|
| Boiling Point | 422.4ºC at 760 mmHg |
| Molecular Formula | C11H13NO5 |
| Molecular Weight | 239.22500 |
| Flash Point | 209.3ºC |
| Exact Mass | 239.07900 |
| PSA | 92.35000 |
| LogP | 2.99510 |
| Index of Refraction | 1.557 |
| InChIKey | RITZSLUFIIRTTQ-UHFFFAOYSA-N |
| SMILES | CCCCOc1cc(C(=O)O)ccc1[N+](=O)[O-] |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918990090 |
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This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
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| DownStream 1 | |
CAS#:99-43-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . 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: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Butoxy-4-nitro-benzoesaeure |
| 3-n-butoxy-2-cyclohexen-1-one |
| 3-n-Butoxy-4-nitrobenzoic acid |
| 3-butoxy-2-cyclohexenone |
| 3-butoxy-4-nitrobenzoic acid |
| 3-butoxy-cyclohex-2-enone |
| 1-Butoxy-3-oxocyclohex-2-ene |
| 3-Butoxy-cyclohex-2-enon |
| 3-butanoxycyclohex-2-en-1-one |
| 2-Cyclohexen-1-one,3-butoxy |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of Butoxy nitrobenzoic acid? |
| A: Polar surface area (PSA) of Butoxy nitrobenzoic acid is 92.35000. |
| Q: What English synonyms does Butoxy nitrobenzoic acid have? |
| A: English synonyms of Butoxy nitrobenzoic acid: 3-Butoxy-4-nitro-benzoesaeure, 3-n-butoxy-2-cyclohexen-1-one, 3-n-Butoxy-4-nitrobenzoic acid, 3-butoxy-2-cyclohexenone, 3-butoxy-4-nitrobenzoic acid, 3-butoxy-cyclohex-2-enone, 1-Butoxy-3-oxocyclohex-2-ene, 3-Butoxy-cyclohex-2-enon, 3-butanoxycyclohex-2-en-1-one, 2-Cyclohexen-1-one,3-butoxy. |
| Q: What is the InChIKey of Butoxy nitrobenzoic acid? |
| A: InChIKey of Butoxy nitrobenzoic acid is RITZSLUFIIRTTQ-UHFFFAOYSA-N. |
| Q: What is the LogP of Butoxy nitrobenzoic acid? |
| A: LogP of Butoxy nitrobenzoic acid is 2.99510. |
| Q: What are the downstream products of Butoxy nitrobenzoic acid? |
| A: Related downstream products(CAS) of Butoxy nitrobenzoic acid: 99-43-4. |
| Q: What is the SMILES notation of Butoxy nitrobenzoic acid? |
| A: SMILES notation of Butoxy nitrobenzoic acid is CCCCOc1cc(C(=O)O)ccc1[N+](=O)[O-]. |
| Q: What is the molecular weight of Butoxy nitrobenzoic acid? |
| A: Molecular weight of Butoxy nitrobenzoic acid is 239.22500. |
| Q: What is the CAS number of Butoxy nitrobenzoic acid? |
| A: CAS number of Butoxy nitrobenzoic acid is 72101-53-2. |
| Q: What is the molecular formula of Butoxy nitrobenzoic acid? |
| A: Molecular formula of Butoxy nitrobenzoic acid is C11H13NO5. |
| Q: What is the boiling point of Butoxy nitrobenzoic acid? |
| A: Boiling point of Butoxy nitrobenzoic acid is 422.4ºC at 760 mmHg. |
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. |