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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

Signal Word

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

Supplementary Hazards

EUH019

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

1.4 °F - closed cup

Flash Point(C)

-17 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCBG5431
091453/1
91453/1

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