HuagongsheHuagongshe Chemistry Print Report · For research reference only
(-)-Benzyl (R)-glycidyl ether
tert-butyl 3-oxoazepane-1-carboxylate · azepan-3-one · dicyclopropylmethanamine · tert-butyl 4-hydroxyazepane-1-carboxylate · benzyl 3-hydroxypiperidine-1-carboxylate · tert-butyl 3-hydroxyazepane-1-carboxylate · 2-(trimethylsilyl)ethanamine · benzyl piperidin-3-ylcarbamate
Identifiers & Physical Properties
| CAS No. | 14618-80-5 |
|---|---|
| Molecular formula | C10H12O2 |
| Average molar mass | 164.2 g/mol |
| Monoisotopic mass | 164.08372962 g/mol |
| SMILES | c1ccc(COC[C@H]2CO2)cc1 |
| InChIKey | QNYBOILAKBSWFG-JTQLQIEISA-N |
| PubChem CID | 159746 |
| EC No. | 604-513-6 |
| DTXSID | DTXSID10932782 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 21.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 130 |
| Melting point | 88-93°C |
| Boiling point | 130 °C (0.1 mmHg) |
| alpha | -5.4 º (c=5 in toluene) |
| Density | 1.077 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.517(lit.) |
| Flash point | >230 °F |
| Storage conditions | 2-8°C |
| Physical state | paste (yellow) |
| Specific gravity | 1.077 |
| Color | Colorless to Almost colorless |
| optical activity | [α]20/D 5.4°, c = 5 in toluene |
| Viscosity | 40000-55000mPa.s(20°C) (Analysis carried out at 20°C with 20mm 4 degree cone/plate40 s-1)) |
| Solubility | Soluble in water. |
| BRN | 3588399 |
| InChI | InChI=1S/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2/t10-/m0/s1 |
| InChIKey | QNYBOILAKBSWFG-JTQLQIEISA-N |
| SMILES | O1C[C@@H]1COCC1=CC=CC=C1 |
| CAS DataBase Reference | 14618-80-5(CAS DataBase Reference) |
| UNSPSC Code | 12352103 |
| NACRES | NA.23 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-37/39 |
| UN transport number | NA 1993 / PGIII |
| Water hazard class (WGK) | 3 |
| RTECS number | TX2860020 |
| Customs code | 29109000 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Toxicity | mic-sat 660 nmol/plate MUREAV 298,197,1993 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.WarningH315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (95.8%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| RTECS number | TX2860020 |
| UN transport number | NA 1993 / PGIII |
| Customs code | 29109000 |
| Toxicity | mic-sat 660 nmol/plate MUREAV 298,197,1993 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36-37/39 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319 |
| REACH registrations | Active |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 |
Applications & Uses
Uses
Used in the preparation of the lactone fragment of compactin and mevinolin. Chiron in the preparation of syn-1,3-polyols, dideoxynucleosides, and a spiroacetal cyanohydrin.
General Description
1H-Pyrazol-3-ylboronic acid hydrate can be used as a reactant in the Suzuki-Miyaura coupling reaction to synthesize pyrazole derivatives by reacting with different aryl halides over the palladium catalyst.