8.22194

(-)-Quinine hydrochloride dihydrate

for synthesis

• Synonym(e): (-)-Quinine hydrochloride dihydrate
• Empirische Formel (Hill-System): C₂₀H₂₅ClN₂O₂ · 2H₂O
• CAS-Nummer: 6119-47-7
• Molekulargewicht: 396.91
• MDL number: MFCD00151248
• UNSPSC Code: 12352107
• EC Index Number: 205-001-1
• NACRES: NA.22
• Assay: ≥99.0% (acidimetric)
• Form: powder

Eigenschaften

• Quality Segment: 200
• assay: ≥99.0% (acidimetric)
• form: powder
• potency: 620 mg/kg LD₅₀, oral (Rat)
• pH: 6.0 (20 °C, 10 g/L in H₂O)
• mp: 115 °C (decomposition)
• transition temp: flash point 122 °C
• solubility: 62.5 g/L
• bulk density: 310 kg/m³
• storage temp.: 2-30°C
• SMILES string: Cl.N21[C@@H](C[C@H]([C@H](C2)C=C)CC1)[C@H](O)c3c4c(ncc3)ccc(c4)OC.O.O
• InChI: 1S/C20H24N2O2.ClH.2H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14+,19-,20+;;;/m0.../s1
• InChI key: MPQKYZPYCSTMEI-FXXIJDEQSA-N

Beschreibung

Analysis Note

Assay (acidimetric): ≥ 99.0 %
Spec. rotation [α²0/D (calculated on dried substance): -258.0 - -245.0 °
Identity (IR): passes test

Sicherheitshinweise

• signalword: Danger
• pcodes: P261 - P264 - P272 - P280 - P301 + P312 - P302 + P352
• Hazard Classifications: Acute Tox. 4 Oral - Resp. Sens. 1 - Skin Sens. 1
• Lagerklasse: 11 - Combustible Solids
• wgk: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• pictograms: GHS08,GHS07
• hcodes: H302,H317,H334