7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one structure
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Common Name | 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one | ||
|---|---|---|---|---|
| CAS Number | 116337-68-9 | Molecular Weight | 329.77800 | |
| Density | 1.252g/cm3 | Boiling Point | 552.2ºC at 760 mmHg | |
| Molecular Formula | C18H16ClNO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 287.7ºC | |
Summary: 7-(4-Chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one (CAS number: 116337-68-9), molecular formula C18H16ClNO3, molecular weight 329.77800. 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 | 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.252g/cm3 |
|---|---|
| Boiling Point | 552.2ºC at 760 mmHg |
| Molecular Formula | C18H16ClNO3 |
| Molecular Weight | 329.77800 |
| Flash Point | 287.7ºC |
| Exact Mass | 329.08200 |
| PSA | 46.61000 |
| LogP | 3.76980 |
| Vapour Pressure | 3.08E-12mmHg at 25°C |
| Index of Refraction | 1.581 |
| InChIKey | JTZYHYPTKLPZJX-UHFFFAOYSA-N |
| SMILES | CN1C(=O)C(C)(C)Oc2cc(C(=O)c3ccc(Cl)cc3)ccc21 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~59%
7-(4-chlorobenz... CAS#:116337-68-9 |
| Literature: Moussavi, Ziaeddine; Lesieur, Daniel; Lespagnol, Charles; Sauzieres, Jacques; Olivier, Philippe European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 55 - 60 |
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~%
7-(4-chlorobenz... CAS#:116337-68-9 |
| Literature: Moussavi, Ziaeddine; Lesieur, Daniel; Lespagnol, Charles; Sauzieres, Jacques; Olivier, Philippe European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 55 - 60 |
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~%
7-(4-chlorobenz... CAS#:116337-68-9 |
| Literature: Moussavi, Ziaeddine; Lesieur, Daniel; Lespagnol, Charles; Sauzieres, Jacques; Olivier, Philippe European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 55 - 60 |
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~%
7-(4-chlorobenz... CAS#:116337-68-9 |
| Literature: Moussavi, Ziaeddine; Lesieur, Daniel; Lespagnol, Charles; Sauzieres, Jacques; Olivier, Philippe European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 55 - 60 |
![(4-chlorophenyl)-[3-hydroxy-4-(methylamino)phenyl]methanone structure](https://image.chemsrc.com/caspic/231/123172-46-3.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: InChIKey of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is JTZYHYPTKLPZJX-UHFFFAOYSA-N. |
| Q: What is the LogP of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: LogP of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is 3.76980. |
| Q: What are the upstream materials of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: Related upstream materials(CAS) of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one: 600-00-0;123172-46-3;21892-80-8;123172-44-1;74-11-3. |
| Q: What is the boiling point of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: Boiling point of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is 552.2ºC at 760 mmHg. |
| Q: What is the Chinese name of 116337-68-9? |
| A: Chinese name of 116337-68-9 is 116337-68-9. |
| Q: What is the molecular weight of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: Molecular weight of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is 329.77800. |
| Q: What is the English name of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: The English name of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one. |
| Q: What is the SMILES notation of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: SMILES notation of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is CN1C(=O)C(C)(C)Oc2cc(C(=O)c3ccc(Cl)cc3)ccc21. |
| Q: What is the molecular formula of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: Molecular formula of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is C18H16ClNO3. |
| Q: What is the CAS number of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: CAS number of 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is 116337-68-9. |