3-Hydroxy-2H-benzo[b][1,4]oxazin-2-one
![3-Hydroxy-2H-benzo[b][1,4]oxazin-2-one Structure](https://image.chemsrc.com/caspic/330/3597-63-5.png)
3-Hydroxy-2H-benzo[b][1,4]oxazin-2-one structure
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Common Name | 3-Hydroxy-2H-benzo[b][1,4]oxazin-2-one | ||
|---|---|---|---|---|
| CAS Number | 3597-63-5 | Molecular Weight | 163.13000 | |
| Density | 1.402g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C8H5NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 3-羟基-2H-benzo[b][1,4]oxazin-2-one (4H-1,4-benzoxazine-2,3-dione), CAS号 3597-63-5, has a molecular formula of C8H5NO3 and a molecular weight of 163.13. 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 | 4H-1,4-benzoxazine-2,3-dione |
|---|---|
| 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 | 1.402g/cm3 |
|---|---|
| Molecular Formula | C8H5NO3 |
| Molecular Weight | 163.13000 |
| Exact Mass | 163.02700 |
| PSA | 63.33000 |
| LogP | 0.89360 |
| Index of Refraction | 1.585 |
| InChIKey | MNDKNFRJYMSGTH-UHFFFAOYSA-N |
| SMILES | O=c1[nH]c2ccccc2oc1=O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 9 | |
CAS#:59-49-4![3-CHLORO-2H-BENZO[B][1,4]OXAZIN-2-ONE structure](https://image.chemsrc.com/caspic/417/27383-81-9.png)
CAS#:27383-81-9
CAS#:27383-68-2![4-[(2-hydroxyethylamino)methyl]-1,4-benzoxazine-2,3-dione structure](https://image.chemsrc.com/caspic/137/90292-00-5.png)
CAS#:90292-00-5
CAS#:90292-02-7
CAS#:90292-03-8![4-[(4-phenylpiperazin-1-yl)methyl]-1,4-benzoxazine-2,3-dione structure](https://image.chemsrc.com/caspic/485/90292-04-9.png)
CAS#:90292-04-9![2-[3-(trifluoromethyl)phenyl]imino-4H-1,4-benzoxazin-3-one structure](https://image.chemsrc.com/caspic/230/90292-15-2.png)
CAS#:90292-15-2
CAS#:90292-19-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Percent Inhibition of antigen-induced release of histamine at a dose of 50 mg/kg in p...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL786445
|
|
Name: Concentration required to inhibit antigen-induced release of histamine (AIR) by 50% f...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL714510
|
|
Name: Antiinflammatory activity in Wistar rat peritoneal mast cells assessed as inhibition ...
Source: ChEMBL
Target: Mast cell
External Id: CHEMBL1011291
|
|
Name: Antiinflammatory activity in Wistar rat peritoneal mast cells assessed as inhibition ...
Source: ChEMBL
Target: Mast cell
External Id: CHEMBL1011290
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| <1,4>-benzoxazine-2,3-dione |
| 1,2,3,4-tetrahydroquinoxazine-2,3-dione |
| 3-Hydroxy-2H-benzo[b][1,4]oxazin-2-one |
| 2H-1,4-Benzoxazine-2,3(4H)-dione |
| 2H-1,4-Benzoxazin-2,3(4H)-dion |
| 3-Hydroxy-2H-1,4-benzoxazine-2-one |
| 2,3-Dioxo-1,4-benzoxazin |
| 1,4-benzoxazin-2,3(4H)-dione |
| 4H-2,3-dioxo-1,4-benzoxazine |
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 4H-1,4-benzoxazine-2,3-dione? |
| A: Polar surface area (PSA) of 4H-1,4-benzoxazine-2,3-dione is 63.33000. |
| Q: What is the InChIKey of 4H-1,4-benzoxazine-2,3-dione? |
| A: InChIKey of 4H-1,4-benzoxazine-2,3-dione is MNDKNFRJYMSGTH-UHFFFAOYSA-N. |
| Q: What is the LogP of 4H-1,4-benzoxazine-2,3-dione? |
| A: LogP of 4H-1,4-benzoxazine-2,3-dione is 0.89360. |
| Q: What is the CAS number of 4H-1,4-benzoxazine-2,3-dione? |
| A: CAS number of 4H-1,4-benzoxazine-2,3-dione is 3597-63-5. |
| Q: What are the downstream products of 4H-1,4-benzoxazine-2,3-dione? |
| A: Related downstream products(CAS) of 4H-1,4-benzoxazine-2,3-dione: 59-49-4;27383-81-9;27383-68-2;90292-00-5;90292-02-7;90292-03-8;90292-04-9;90292-15-2;90292-19-6. |
| Q: What is the SMILES notation of 4H-1,4-benzoxazine-2,3-dione? |
| A: SMILES notation of 4H-1,4-benzoxazine-2,3-dione is O=c1[nH]c2ccccc2oc1=O. |
| Q: What English synonyms does 4H-1,4-benzoxazine-2,3-dione have? |
| A: English synonyms of 4H-1,4-benzoxazine-2,3-dione: -benzoxazine-2,3-dione, 1,2,3,4-tetrahydroquinoxazine-2,3-dione, 3-Hydroxy-2H-benzo[b][1,4]oxazin-2-one, 2H-1,4-Benzoxazine-2,3(4H)-dione, 2H-1,4-Benzoxazin-2,3(4H)-dion, 3-Hydroxy-2H-1,4-benzoxazine-2-one, 2,3-Dioxo-1,4-benzoxazin, 1,4-benzoxazin-2,3(4H)-dione, 4H-2,3-dioxo-1,4-benzoxazine. |
| Q: What is the molecular formula of 4H-1,4-benzoxazine-2,3-dione? |
| A: Molecular formula of 4H-1,4-benzoxazine-2,3-dione is C8H5NO3. |
| Q: What is the English name of 4H-1,4-benzoxazine-2,3-dione? |
| A: The English name of 4H-1,4-benzoxazine-2,3-dione is 4H-1,4-benzoxazine-2,3-dione. |
| Q: What are the upstream materials of 4H-1,4-benzoxazine-2,3-dione? |
| A: Related upstream materials(CAS) of 4H-1,4-benzoxazine-2,3-dione: 91-56-5;95-55-6;95-92-1;79-37-8;824-38-4;27383-59-1;17318-84-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |