CAS Number85107-54-6
Synonyms4-borono-3-nitrobenzoic acid; MFCD00448780; 4-(Dihydroxyboranyl)-3-nitrobenzoic acid; 4-(Dihydroxyboryl)-3-nitrobenzoic acid
Molecular FormulaC7H6BNO6
Molecular Weight240.25
Purity≥95.0 (HPLC)%
Density1.6±0.1 g/cm3
Boiling Point487.1±55.0 °C at 760 mmHg
Melting Point265-268ºC
Appearanceoff-white crystal
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| Chemical & Physical Properties | |
|---|---|
| CAS Number | 85107-54-6 |
| Catalog No. | 2A-9049185 |
| Chinese Name | 4-羧基-2-硝基苯硼酸 |
| Synonyms | 4-borono-3-nitrobenzoic acid; MFCD00448780; 4-(Dihydroxyboranyl)-3-nitrobenzoic acid; 4-(Dihydroxyboryl)-3-nitrobenzoic acid |
| Molecular Formula | C7H6BNO6 |
| Molecular Weight | 240.25 |
| Purity | ≥95.0 (HPLC) |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 487.1±55.0 °C at 760 mmHg |
| Melting Point | 265-268ºC |
| Appearance | off-white crystal |
| Storage Condition | room temperature |
| HTC | 2931900090 |
| PubChem ID | 3208604 |
| MDL Number | MFCD08436079 |
| SMILES | OC(CCC1=C(C(O)=O)C(C)=C(CCC)O1)=O |
| InChI | 1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16) |
| InChI Key | WMCQWXZMVIETAO-UHFFFAOYSA-N |
| NACRES Code | NB.21 |
| UNSPSC | 12352106 |
| MSDS | msds/49185_1_85107_54_6.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Molecular formula:C7H6BNO6 Molecular weight:210.9 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Hazard Codes Xi: Irritant; Safety Phrases 26-36 HS Code 2931900090 Synthetic Route Total: 1 Page p-Boronobenzoic acid CAS#:14047-29-1 4-(Dihydroxybor... CAS#:85107-54-6 Literature: Journal of the American Chemical Society, , vol. 81, p. 3017 Arkiv foer Kemi, , vol. 10, p. 479,504 4-Tolylboronic acid CAS#:5720-05-8 4-(Dihydroxybor... CAS#:85107-54-6 Literature: B: B-Verb.13, 4.7.2.5, page 209 - 219 Precursor & DownStream Precursor 2 CAS#:14047-29-1 p-Boronobenzoic acid CAS#:5720-05-8 4-Tolylboronic acid DownStream 1 CAS#:116378-39-3 3-amino-4-boron... |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: 4-carboxy-2-nitrobenzeneboronic acid (contains varying amounts of anhydride) |
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