CAS 113216-88-9|O-(4-Chlorobenzoyl)hydroquinine

Introduction：Basic information about CAS 113216-88-9|O-(4-Chlorobenzoyl)hydroquinine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Synonyms

Common Name	O-(4-Chlorobenzoyl)hydroquinine
CAS Number	113216-88-9	Molecular Weight	464.98400
Density	1.28g/cm3	Boiling Point	598ºC at 760mmHg
Molecular Formula	C₂₇H₂₉ClN₂O₃	Melting Point	128-130ºC(lit.)
MSDS	ChineseUSA	Flash Point	315.5ºC

Names

Name	[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.28g/cm3
Boiling Point	598ºC at 760mmHg
Melting Point	128-130ºC(lit.)
Molecular Formula	C₂₇H₂₉ClN₂O₃
Molecular Weight	464.98400
Flash Point	315.5ºC
Exact Mass	464.18700
PSA	51.66000
LogP	5.85320
Vapour Pressure	2.91E-14mmHg at 25°C
Index of Refraction	1.639
InChIKey	TXVNNFDXQZFMBQ-MFQNCIFPSA-N
SMILES	CCC1CN2CCC1CC2C(OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc12

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Safety Phrases	S22-S24/25
RIDADR	UN 1544
Packaging Group	III
Hazard Class	6.1(b)

Synonyms

Hydroquinine 4-chlorobenzoate

(1R)-((1S,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methyl 4-chlorobenzoate

O-(4-chlorobenzoyl)-hydroquinine

Dihydroquinine 4-chlorobenzoate

10,11-dihydroquinine p-chlorobenzoate

MFCD00161486

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