Benzoic acid,4-(5-pentyl-2-pyrimidinyl)
Benzoic acid,4-(5-pentyl-2-pyrimidinyl) structure
|
Common Name | Benzoic acid,4-(5-pentyl-2-pyrimidinyl) | ||
|---|---|---|---|---|
| CAS Number | 123704-47-2 | Molecular Weight | 270.32600 | |
| Density | 1.145g/cm3 | Boiling Point | 370.3ºC at 760 mmHg | |
| Molecular Formula | C16H18N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 177.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-(5-pentylpyrimidin-2-yl)benzoic 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 | 1.145g/cm3 |
|---|---|
| Boiling Point | 370.3ºC at 760 mmHg |
| Molecular Formula | C16H18N2O2 |
| Molecular Weight | 270.32600 |
| Flash Point | 177.7ºC |
| Exact Mass | 270.13700 |
| PSA | 63.08000 |
| LogP | 3.57450 |
| Vapour Pressure | 3.89E-06mmHg at 25°C |
| Index of Refraction | 1.569 |
| InChIKey | KKBKNYAHAWZKLN-UHFFFAOYSA-N |
| SMILES | CCCCCc1cnc(-c2ccc(C(=O)O)cc2)nc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933599090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
Benzoic acid,4-... CAS#:123704-47-2 |
| Literature: Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 24, # 12 p. 1352 - 1354 Khimiya Geterotsiklicheskikh Soedinenii, , vol. 24, # 12 p. 1636 - 1639 |
|
~%
Benzoic acid,4-... CAS#:123704-47-2 |
| Literature: Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 24, # 12 p. 1352 - 1354 Khimiya Geterotsiklicheskikh Soedinenii, , vol. 24, # 12 p. 1636 - 1639 |
|
~%
Benzoic acid,4-... CAS#:123704-47-2 |
| Literature: Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 24, # 12 p. 1352 - 1354 Khimiya Geterotsiklicheskikh Soedinenii, , vol. 24, # 12 p. 1636 - 1639 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Benzoic acid,4-(5-pentyl-2-pyrimidinyl) |
| 4-(5-Pentylpyrimidine-2-yl)benzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 4-(5-pentylpyrimidin-2-yl)benzoic acid? |
| A: SMILES notation of 4-(5-pentylpyrimidin-2-yl)benzoic acid is CCCCCc1cnc(-c2ccc(C(=O)O)cc2)nc1. |
| Q: What English synonyms does 4-(5-pentylpyrimidin-2-yl)benzoic acid have? |
| A: English synonyms of 4-(5-pentylpyrimidin-2-yl)benzoic acid: Benzoic acid,4-(5-pentyl-2-pyrimidinyl), 4-(5-Pentylpyrimidine-2-yl)benzoic acid. |
| Q: What is the boiling point of 4-(5-pentylpyrimidin-2-yl)benzoic acid? |
| A: Boiling point of 4-(5-pentylpyrimidin-2-yl)benzoic acid is 370.3ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 4-(5-pentylpyrimidin-2-yl)benzoic acid? |
| A: Polar surface area (PSA) of 4-(5-pentylpyrimidin-2-yl)benzoic acid is 63.08000. |
| Q: What is the molecular weight of 4-(5-pentylpyrimidin-2-yl)benzoic acid? |
| A: Molecular weight of 4-(5-pentylpyrimidin-2-yl)benzoic acid is 270.32600. |
| Q: What is the InChIKey of 4-(5-pentylpyrimidin-2-yl)benzoic acid? |
| A: InChIKey of 4-(5-pentylpyrimidin-2-yl)benzoic acid is KKBKNYAHAWZKLN-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 4-(5-pentylpyrimidin-2-yl)benzoic acid? |
| A: Related upstream materials(CAS) of 4-(5-pentylpyrimidin-2-yl)benzoic acid: 57202-65-0;42823-73-4. |
| Q: What is the molecular formula of 4-(5-pentylpyrimidin-2-yl)benzoic acid? |
| A: Molecular formula of 4-(5-pentylpyrimidin-2-yl)benzoic acid is C16H18N2O2. |
| Q: What is the LogP of 4-(5-pentylpyrimidin-2-yl)benzoic acid? |
| A: LogP of 4-(5-pentylpyrimidin-2-yl)benzoic acid is 3.57450. |
| Q: What is the English name of 4-(5-pentylpyrimidin-2-yl)benzoic acid? |
| A: The English name of 4-(5-pentylpyrimidin-2-yl)benzoic acid is 4-(5-pentylpyrimidin-2-yl)benzoic acid. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |