Introduction:Basic information about CAS 13331-27-6|3-Nitrophenylboronic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Nitrophenylboronic acid |
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| CAS Number | 13331-27-6 | Molecular Weight | 166.93 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 363.3±44.0 °C at 760 mmHg |
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| Molecular Formula | C6H6BNO4 | Melting Point | 284-285 °C (dec.)(lit.) |
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| MSDS | ChineseUSA | Flash Point | 173.5±28.4 °C |
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| Symbol | GHS07 | Signal Word | Warning |
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Names
| Name | 3-Nitrophenylboronic acid |
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| Synonym | More Synonyms |
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3-Nitrophenylboronic acid BiologicalActivity
| Description | 3-Nitrophenylboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 363.3±44.0 °C at 760 mmHg |
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| Melting Point | 284-285 °C (dec.)(lit.) |
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| Molecular Formula | C6H6BNO4 |
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| Molecular Weight | 166.93 |
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| Flash Point | 173.5±28.4 °C |
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| Exact Mass | 167.038986 |
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| PSA | 86.28000 |
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| LogP | 1.32 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.574 |
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| InChIKey | ZNRGSYUVFVNSAW-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1cccc(B(O)O)c1 |
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| Storage condition | 0-6°C |
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| Water Solubility | soluble in hot water |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CY8980000
- CHEMICAL NAME :
- Benzeneboronic acid, m-nitro-
- CAS REGISTRY NUMBER :
- 13331-27-6
- BEILSTEIN REFERENCE NO. :
- 2938638
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C6-H6-B-N-O4
- MOLECULAR WEIGHT :
- 166.94
- WISWESSER LINE NOTATION :
- WNR CBQQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01859
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Safety Information
| Symbol | GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi:Irritant |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S37/39 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | CY8980000 |
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| HS Code | 29310095 |
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Customs
| HS Code | 2931900090 |
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| 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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| Boronic acid catalyzed ene carbocyclization of acetylenic dicarbonyl compounds. Chem. Commun. (Camb.) 46 , 2191, (2010) The discovery and development of an efficient ene carbocyclization of 1,3-dicarbonyl compounds bearing pendent terminal alkyne substituents under 3-nitrobenzeneboronic acid catalysis is described. The... | |
Synonyms
| 3-Nitrophenylboronic acid |
| (3-Nitrophenyl)boronic acid |
| MFCD00007193 |
| Boronic acid, B-(3-nitrophenyl)- |
| 3-Nitrobenzeneboronic acid |