CAS 98-80-6|Phenylboronic acid
Introduction：Basic information about CAS 98-80-6|Phenylboronic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Phenylboronic acid | ||
|---|---|---|---|
| CAS Number | 98-80-6 | Molecular Weight | 121.93 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 265.9±23.0 °C at 760 mmHg |
| Molecular Formula | C6H7BO2 | Melting Point | 216-219 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 114.6±22.6 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | phenylboronic acid |
|---|---|
| Synonym | More Synonyms |
Phenylboronic acid BiologicalActivity
| Description | Phenylboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog | Research Areas >>Others |
| In Vitro | Benzeneboronic acid 是一种硼酸，用于 Mizuroki Heck 和 Suzuki Miyaura 偶联反应。 |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 265.9±23.0 °C at 760 mmHg |
| Melting Point | 216-219 °C(lit.) |
| Molecular Formula | C6H7BO2 |
| Molecular Weight | 121.93 |
| Flash Point | 114.6±22.6 °C |
| Exact Mass | 122.053909 |
| PSA | 40.46000 |
| LogP | 1.59 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.534 |
| InChIKey | HXITXNWTGFUOAU-UHFFFAOYSA-N |
| SMILES | OB(O)c1ccccc1 |
| Water Solubility | 10 g/L (20 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 740 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 221 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APYPAY Acta Physiologica Polonica. (Karger-Libri, POB CH-4009, Warszawa, Switzerland) V.1-41, 1950-90. Volume(issue)/page/year: 12,173,1961
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 450 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BANMAC Bulletin de l'Academie Nationale de Medicine (Paris). (Imprimeries Reunies de Chambray, 226, route d'Apremont, F-73490 La Ravoire, France) V.1- 1836- Volume(issue)/page/year: 135,314,1951
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 4500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 284 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BANMAC Bulletin de l'Academie Nationale de Medicine (Paris). (Imprimeries Reunies de Chambray, 226, route d'Apremont, F-73490 La Ravoire, France) V.1- 1836- Volume(issue)/page/year: 135,314,1951
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S22-S24/25-S36/37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | CY8575000 |
| HS Code | 2942000000 |
Customs
| 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% |
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Synonyms
| Boronic acid,phenyl |
| Phenylboric acid |
| Boric acid,phenyl |
| Boronic acid, B-phenyl- |
| Benzeneboronic acid |
| Phenyldihydroxyborane |
| Phenylboronic acid |
| Dihydroxyphenylborane |
| benzene boronic acid |
| Borophenylic acid |
| Phenylboronicacid |
| EINECS 202-701-9 |
| MFCD00002103 |
| Phenylboronic acid- |
| Phenyl boronic acid |
