336483

Hydroquinidine 4-chlorobenzoate

98%

• Synonym(s): O-(4-Chlorobenzoyl)hydroquinidine, Dihydroquinidine 4-chlorobenzoate
• Empirical Formula (Hill Notation): C₂₇H₂₉ClN₂O₃
• CAS Number: 113162-02-0
• Molecular Weight: 464.98
• Beilstein: 4302319
• MDL number: MFCD00151148
• UNSPSC Code: 12352005
• PubChem Substance ID: 24860385
• NACRES: NA.22

Properties

• Assay: 98%
• optical activity: [α]26/D −73°, c = 1 in ethanol
• mp: 102-105 °C (lit.)
• functional group: chloro; ester
• SMILES string: CC[C@@H]1CN2CCC1CC2[C@@H](OC(=O)c3ccc(Cl)cc3)c4ccnc5ccc(OC)cc45
• InChI: 1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19+,25-,26+/m1/s1
• InChI key: TXVNNFDXQZFMBQ-XHYUFEOFSA-N

Description

Legal Information

Sold under license from Rhodia Pharma Solutions.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves