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418978

(DHQ)₂Pyr

Name: (DHQ)<SUB>2</SUB>Pyr
Brand: ALDRICH

97%

Synonym(s):

Hydroquinine 2,5-diphenyl-4,6-pyrimidinediyl diether

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About This Item

Empirical Formula (Hill Notation):

C₅₆H₆₀N₆O₄

CAS Number:

149820-65-5

Molecular Weight:

881.11

NACRES:

NA.22

PubChem Substance ID:

24866253

UNSPSC Code:

12352005

MDL number:

MFCD00198109

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Properties

Quality Segment

200

assay

97%

form

solid

optical activity

[α]20/D +455°, c = 1.2 in methanol

manufacturer/tradename

ECACC

impurities

<3% ethyl acetate

mp

245-248 °C (lit.)

functional group

phenyl

SMILES string

CC[C@H]1CN2CCC1C[C@@H]2[C@H](Oc3nc(nc(O[C@@H]([C@@H]4CC5CC[N@H]4C[C@H]5CC)c6ccnc7ccc(OC)cc67)c3-c8ccccc8)-c9ccccc9)c%10ccnc%11ccc(OC)cc%10%11

InChI

1S/C56H60N6O4/c1-5-35-33-61-27-23-39(35)29-49(61)52(43-21-25-57-47-19-17-41(63-3)31-45(43)47)65-55-51(37-13-9-7-10-14-37)56(60-54(59-55)38-15-11-8-12-16-38)66-53(50-30-40-24-28-62(50)34-36(40)6-2)44-22-26-58-48-20-18-42(64-4)32-46(44)48/h7-22,25-26,31-32,35-36,39-40,49-50,52-53H,5-6,23-24,27-30,33-34H2,1-4H3/t35-,36?,39?,40+,49?,50?,52+,53+/m0/s1

InChI key

SWKRDCRSJPRVNF-RMMANSCUSA-N

Description

Legal Information

Sold under license from Rhodia Pharma Solutions.

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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