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Supelco

Nitrite ionophore II

Selectophore™

Synonym(s):

Dicyanocobyrinic acid heptapropyl ester

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About This Item

Empirical Formula (Hill Notation):
C68H101CoN6O14
CAS Number:
93441-85-1
Molecular Weight:
1285.49
MDL number:
MFCD00213828
UNSPSC Code:
26111700
PubChem Substance ID:
329764200

product line

Selectophore™

form

liquid

storage temp.

2-8°C

SMILES string

CCCOC(=O)CC[C@@H]1C2=CC3=NC([C@@H](CCC(=O)OCCC)C3(C)C)=C(C)C4=NC([C@H](CC(=O)OCCC)[C@@]4(C)CCC(=O)OCCC)[C@]5(C)N=C([C@@H](CCC(=O)OCCC)[C@]5(C)CC(=O)OCCC)C(C)=C(N2[Co](C#N)C#N)[C@@]1(C)CC(=O)OCCC

InChI

1S/C66H101N4O14.2CN.Co/c1-16-31-78-50(71)26-23-44-48-39-49-62(10,11)45(24-27-51(72)79-32-17-2)57(68-49)42(8)59-63(12,30-29-53(74)81-34-19-4)47(38-54(75)82-35-20-5)61(69-59)66(15)65(14,41-56(77)84-37-22-7)46(25-28-52(73)80-33-18-3)58(70-66)43(9)60(67-48)64(44,13)40-55(76)83-36-21-6;2*1-2;/h39,44-47,61H,16-38,40-41H2,1-15H3;;;/q-1;;;+1/t44-,45-,46-,47+,61?,63-,64+,65+,66+;;;/m1.../s1

InChI key

ISWKZOZLNIEXOZ-GRQAXCPQSA-N

General description

Visit our Sensor Applications portal to learn more.

Physical form

solution in 0.5 mL tetrahydrofuran

Other Notes

Ionophore used for the determination of nitrogen oxide gas

Legal Information

Selectophore is a trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

supp_hazards

EUH019

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

1.4 °F - closed cup

flash_point_c

-17 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCBG5431
091453/1
91453/1

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