3-(Hydroxymethyl)phenylboronic acid
3-(Hydroxymethyl)phenylboronic acid structure
|
Common Name | 3-(Hydroxymethyl)phenylboronic acid | ||
|---|---|---|---|---|
| CAS Number | 87199-15-3 | Molecular Weight | 151.96 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 380.5±44.0 °C at 760 mmHg | |
| Molecular Formula | C7H9BO3 | Melting Point | 95-99 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 183.9±28.4 °C | |
Use of 3-(Hydroxymethyl)phenylboronic acid3-(Hydroxymethyl)phenylboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(Hydroxymethyl)phenylboronic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 3-(Hydroxymethyl)phenylboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog | |
| In Vitro | 用于铜介导的三氟甲基化、铜催化的芳基硼酸在水中的转化、Mitsunobu、Suzuki 以及与羟苯基氨基溴吡嗪羧酸盐的酰胺化反应的反应物。通过铃木偶联反应参与生物活性分子合成的反应物，包括结核分枝杆菌 H37Rv 分支酸变位酶抑制剂、对耐药病毒具有抗病毒活性的 HIV 蛋白酶抑制剂、用作 PDE4B 抑制剂的吡咯衍生物。 |
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 | 380.5±44.0 °C at 760 mmHg |
| Melting Point | 95-99 °C(lit.) |
| Molecular Formula | C7H9BO3 |
| Molecular Weight | 151.96 |
| Flash Point | 183.9±28.4 °C |
| Exact Mass | 152.064468 |
| PSA | 60.69000 |
| LogP | 0.41 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.567 |
| InChIKey | HGTDLKXUWVKLQX-UHFFFAOYSA-N |
| SMILES | OCc1cccc(B(O)O)c1 |
| Storage condition | Refrigerator (+4°C) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2931900090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
3-(Hydroxymethy... CAS#:87199-15-3 |
| Literature: Texas Biotechnology Corporation Patent: US5444050 A1, 1995 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 10 | |
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CAS#:1877-77-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2931900090 |
|---|---|
| Summary | 2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). 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: Inhibition of full length human C-terminal 6-His-tagged ATXbeta using FS-3 as substra...
Source: ChEMBL
Target: Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
External Id: CHEMBL4052575
|
|
Name: Residual binding of radiolabeled PGE-2 on the Prostanoid EP3 receptor at a concentrat...
Source: ChEMBL
Target: Prostaglandin E2 receptor EP3 subtype
External Id: CHEMBL764948
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Boronobenzyl alcohol |
| 3-hydroxymethylbenzeneboronic acid |
| 3-(Hydroxymethyl)phenylboronicacid |
| MFCD01317846 |
| 3-hydroxymethylboronic acid |
| RARECHEM AH PB 0189 |
| 3-HydroMethylphenylboronicacid |
| (3-(hydroxymethyl)phenyl)boronic 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 3-(Hydroxymethyl)phenylboronic acid? |
| A: SMILES notation of 3-(Hydroxymethyl)phenylboronic acid is OCc1cccc(B(O)O)c1. |
| Q: What English synonyms does 3-(Hydroxymethyl)phenylboronic acid have? |
| A: English synonyms of 3-(Hydroxymethyl)phenylboronic acid: 3-Boronobenzyl alcohol, 3-hydroxymethylbenzeneboronic acid, 3-(Hydroxymethyl)phenylboronicacid, MFCD01317846, 3-hydroxymethylboronic acid, RARECHEM AH PB 0189, 3-HydroMethylphenylboronicacid, (3-(hydroxymethyl)phenyl)boronic acid. |
| Q: What is the safety information for 3-(Hydroxymethyl)phenylboronic acid? |
| A: Safety information for 3-(Hydroxymethyl)phenylboronic acid: S37/39-S26. |
| Q: What is the molecular weight of 3-(Hydroxymethyl)phenylboronic acid? |
| A: Molecular weight of 3-(Hydroxymethyl)phenylboronic acid is 151.96. |
| Q: What is the boiling point of 3-(Hydroxymethyl)phenylboronic acid? |
| A: Boiling point of 3-(Hydroxymethyl)phenylboronic acid is 380.5±44.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 3-(Hydroxymethyl)phenylboronic acid? |
| A: InChIKey of 3-(Hydroxymethyl)phenylboronic acid is HGTDLKXUWVKLQX-UHFFFAOYSA-N. |
| Q: What are the uses of 3-(Hydroxymethyl)phenylboronic acid? |
| A: Main uses of 3-(Hydroxymethyl)phenylboronic acid: 3-(Hydroxymethyl)phenylboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
| Q: What is the LogP of 3-(Hydroxymethyl)phenylboronic acid? |
| A: LogP of 3-(Hydroxymethyl)phenylboronic acid is 0.41. |
| Q: What is the CAS number of 3-(Hydroxymethyl)phenylboronic acid? |
| A: CAS number of 3-(Hydroxymethyl)phenylboronic acid is 87199-15-3. |
| Q: What is the polar surface area (PSA) of 3-(Hydroxymethyl)phenylboronic acid? |
| A: Polar surface area (PSA) of 3-(Hydroxymethyl)phenylboronic acid is 60.69000. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 3-(Hydroxymethyl)phenylboronic acid
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 3-(Hydroxymethyl)phenylboronic acid
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 3-(Hydroxymethyl)phenylboronic acid
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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