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Merck
CN

336491

O-(4-Chlorobenzoyl)hydroquinine

98%

Synonym(s):

Dihydroquinine 4-chlorobenzoate, Hydroquinine 4-chlorobenzoate

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About This Item

Empirical Formula (Hill Notation):
C27H29ClN2O3
CAS Number:
Molecular Weight:
464.98
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
4302318
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Product Name

O-(4-Chlorobenzoyl)hydroquinine, 98%

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+/m0/s1

SMILES string

CC[C@H]1CN2CCC1CC2[C@H](OC(=O)c3ccc(Cl)cc3)c4ccnc5ccc(OC)cc45

InChI key

TXVNNFDXQZFMBQ-MFQNCIFPSA-N

assay

98%

optical activity

[α]26/D +150°, c = 1 in ethanol

mp

128-130 °C (lit.)

functional group

chloro
ester

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Legal Information

Sold under license from Rhodia Pharma Solutions.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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