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72593

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
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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

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Physical form

solution in 0.5 mL tetrahydrofuran

Other Notes

Ionophore used for the determination of nitrogen oxide gas[1][2]

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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