| Chemical & Physical Properties | |
|---|---|
| CAS Number | 91983-26-5 |
| Catalog No. | 2A-9004849 |
| Chinese Name | 4-腈甲基苯硼酸 |
| Synonyms | [4-(Cyanomethyl)phenyl]boronic acid; MFCD01632200 |
| Molecular Formula | C8H8BNO2 |
| Molecular Weight | 160.97 |
| Purity | 96 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 375.7±44.0 °C at 760 mmHg |
| Melting Point | 138-142°C |
| Appearance | solid |
| Water Solubility | Soluble in: methanol |
| Storage Condition | Closed, cool, dry place |
| Packaging | III |
| HTC | 2931900090 |
| PubChem ID | 329778197 |
| MDL Number | MFCD01632200 |
| SMILES | OB(O)c1ccc(CC#N)cc1 |
| InChI | 1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2 |
| InChI Key | YKVMTTIYBSVPEQ-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352106 |
| Hazard Symbols | 6.1 |
| MSDS | msds/4849_1_91983_26_5.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. 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 Appearance:Not specified Boiling point: Melting point:No data Flash point:No data Molecular formula: C8H8BNO2 Molecular weight: 161.0 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; RIDADR 3439 Packaging Group III Hazard Class 6.1 HS Code 2931900090 Synthetic Route Total: 1 Page 2-[4-(tetrameth... CAS#:138500-86-4 [4-(Cyanomethyl... CAS#:91983-26-5 4-(Bromomethyl)... CAS#:68162-47-0 POTASSIUM CYANIDE CAS#:151-50-8 [4-(Cyanomethyl... CAS#:91983-26-5 Literature: Tetrahedron, , vol. 19, p. 821 - 826 Precursor & DownStream Precursor 3 CAS#:138500-86-4 2-[4-(tetrameth... CAS#:68162-47-0 4-(Bromomethyl)... CAS#:151-50-8 POTASSIUM CYANIDE DownStream 3 CAS#:112170-33-9 2-(4-pyridin-4-... CAS#:92243-74-8 4-ethoxycarbony... CAS#:90111-58-3 2-(4-Boronophen... |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: 4-nitrilemethylbenzeneboronic acid (contains varying amounts of anhydride) |
| Related Products in Functional Building Blocks | ||
|---|---|---|
| 4-(4-Chlorophenylthio)-3-nitrobenzaldehyde | 270262-96-9 | 2A-9004803 |
| 4-(4-Nitrobenzyloxy)benzaldehyde | 67565-48-4 | 2A-9004818 |
| 4-(4-Nitrophenyl)-3-thiosemicarbazide | 38985-70-5 | 2A-9004822 |
| 4-(Benzyloxycarbonyl)benzeneboronic acid | 184000-11-1 | 2A-9004842 |
| 4-(Bromomethyl)benzil | 18189-19-0 | 2A-9004847 |
| 4-(Difluoromethoxy)benzaldehyde | 73960-07-3 | 2A-9004851 |
| 4-(Methylthiophenyl)boronic acid | 98546-51-1 | 2A-9004871 |
| 4-(N,N-Diethylamino)salicylaldehyde | 17754-90-4 | 2A-9004872 |
| 4-(N,N-Diethylaminocarbonyl)phenylboronic acid | 389621-80-1 | 2A-9004873 |
| 4-(N,N-Dimethylamino)butanal dimethyl acetal | 19718-92-4 | 2A-9004875 |
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