112022-83-0
| Name | (R)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole |
| CAS | 112022-83-0 |
| EINECS(EC#) | -0 |
| Molecular Formula | C18H20BNO |
| MDL Number | MFCD00078440 |
| Molecular Weight | 277.17 |
| MOL File | 112022-83-0.mol |
Chemical Properties
| Appearance | white to light yellow crystal powde |
| Melting point | 85-95 °C(lit.) |
| Boiling point | 111 °C |
| density | 0.95 g/mL at 25 °C |
| refractive index | 68 ° (C=1, MeOH) |
| Fp | 40 °F |
| storage temp. | 2-8°C |
| solubility | soluble in Chloroform, Methanol |
| form | Liquid |
| pka | 1.02±0.40(Predicted) |
| color | Colorless to amber |
| Optical Rotation | [α]22/D +76.8°, c = 1 in toluene |
| Water Solubility | Not miscible or difficult to mix in water. |
| Sensitive | Air & Moisture Sensitive |
| BRN | 9059874 |
| Exposure limits | ACGIH: TWA 20 ppm OSHA: Ceiling 300 ppm; TWA 200 ppm NIOSH: IDLH 500 ppm; TWA 100 ppm(375 mg/m3); STEL 150 ppm(560 mg/m3) |
| InChI | 1S/C18H20BNO/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m1/s1 |
| InChIKey | VMKAFJQFKBASMU-QGZVFWFLSA-N |
| SMILES | [H][C@]12CCCN1B(C)OC2(c3ccccc3)c4ccccc4 |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302-H318 |
| Precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P501 |
| Hazard Codes | F,Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1294 3/PG 2 |
| WGK Germany | 3 |
| F | 10 |
| REACH Registrations | Inactive |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29319090 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Aquatic Chronic 3 Asp. Tox. 1 Eye Dam. 1 Flam. Liq. 2 Repr. 2 Skin Irrit. 2 STOT RE 2 STOT SE 3 |
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