6-Amino-2,1-benzoxaborol-1(3H)-ol
6-Amino-2,1-benzoxaborol-1(3H)-ol structure
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Common Name | 6-Amino-2,1-benzoxaborol-1(3H)-ol | ||
|---|---|---|---|---|
| CAS Number | 117098-94-9 | Molecular Weight | 148.955 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 329.5±52.0 °C at 760 mmHg | |
| Molecular Formula | C7H8BNO2 | Melting Point | 148 °C(lit.) | |
| MSDS | N/A | Flash Point | 153.1±30.7 °C | |
Summary: 1-hydroxy-3H-2,1-benzoxaborol-6-amine, also known as 6-Amino-2,1-benzoxaborol-1(3H)-ol, has a CAS number of 117098-94-9, with a molecular formula of C7H8BNO2 and a molecular weight of 148.955. The compound has a melting point of 148 °C(lit.) and a density of 1.3±0.1 g/cm3. 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 | 1-hydroxy-3H-2,1-benzoxaborol-6-amine |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 329.5±52.0 °C at 760 mmHg |
| Melting Point | 148 °C(lit.) |
| Molecular Formula | C7H8BNO2 |
| Molecular Weight | 148.955 |
| Flash Point | 153.1±30.7 °C |
| Exact Mass | 149.064804 |
| PSA | 55.48000 |
| LogP | 0.06770 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.597 |
| InChIKey | USCKQKQTFCBECF-UHFFFAOYSA-N |
| SMILES | Nc1ccc2c(c1)B(O)OC2 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2921499090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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6-Amino-2,1-ben... CAS#:117098-94-9 |
| Literature: Lennarz,W.J.; Snyder,H.R. Journal of the American Chemical Society, 1960 , vol. 82, p. 2172 - 2175 |
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6-Amino-2,1-ben... CAS#:117098-94-9 |
| Literature: Lennarz,W.J.; Snyder,H.R. Journal of the American Chemical Society, 1960 , vol. 82, p. 2172 - 2175 |
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 | 2921499090 |
|---|---|
| Summary | 2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-amino-2-hydroxymethyl-phenylboronic acid |
| 6-aminobenzo[c]-[1,2]oxaborol-1(3H)-ol |
| 6-Amino-2,1-benzoxaborol-1(3H)-ol |
| 6-amino-1-hydroxy-2,1-benzoxaborolane |
| 6-aminobenzoxaborole |
| 6-amino-3H-benzo[c][1,2]oxaborol-1-ol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 1-hydroxy-3H-2,1-benzoxaborol-6-amine? |
| A: CAS number of 1-hydroxy-3H-2,1-benzoxaborol-6-amine is 117098-94-9. |
| Q: What is the molecular formula of 1-hydroxy-3H-2,1-benzoxaborol-6-amine? |
| A: Molecular formula of 1-hydroxy-3H-2,1-benzoxaborol-6-amine is C7H8BNO2. |
| Q: What is the InChIKey of 1-hydroxy-3H-2,1-benzoxaborol-6-amine? |
| A: InChIKey of 1-hydroxy-3H-2,1-benzoxaborol-6-amine is USCKQKQTFCBECF-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 1-hydroxy-3H-2,1-benzoxaborol-6-amine? |
| A: Related upstream materials(CAS) of 1-hydroxy-3H-2,1-benzoxaborol-6-amine: 118803-40-0;5735-41-1. |
| Q: What is the polar surface area (PSA) of 1-hydroxy-3H-2,1-benzoxaborol-6-amine? |
| A: Polar surface area (PSA) of 1-hydroxy-3H-2,1-benzoxaborol-6-amine is 55.48000. |
| Q: What is the English name of 1-hydroxy-3H-2,1-benzoxaborol-6-amine? |
| A: The English name of 1-hydroxy-3H-2,1-benzoxaborol-6-amine is 1-hydroxy-3H-2,1-benzoxaborol-6-amine. |
| Q: What is the boiling point of 1-hydroxy-3H-2,1-benzoxaborol-6-amine? |
| A: Boiling point of 1-hydroxy-3H-2,1-benzoxaborol-6-amine is 329.5±52.0 °C at 760 mmHg. |
| Q: What English synonyms does 1-hydroxy-3H-2,1-benzoxaborol-6-amine have? |
| A: English synonyms of 1-hydroxy-3H-2,1-benzoxaborol-6-amine: 5-amino-2-hydroxymethyl-phenylboronic acid, 6-aminobenzo[c]-[1,2]oxaborol-1(3H)-ol, 6-Amino-2,1-benzoxaborol-1(3H)-ol, 6-amino-1-hydroxy-2,1-benzoxaborolane, 6-aminobenzoxaborole, 6-amino-3H-benzo[c][1,2]oxaborol-1-ol. |
| Q: What is the melting point of 1-hydroxy-3H-2,1-benzoxaborol-6-amine? |
| A: Melting point of 1-hydroxy-3H-2,1-benzoxaborol-6-amine is 148 °C(lit.). |
| Q: What is the SMILES notation of 1-hydroxy-3H-2,1-benzoxaborol-6-amine? |
| A: SMILES notation of 1-hydroxy-3H-2,1-benzoxaborol-6-amine is Nc1ccc2c(c1)B(O)OC2. |
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. |