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Key Documents

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Safety Information

A3609

Sigma-Aldrich

AC-55541

≥98% (HPLC), powder

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About This Item

Empirical Formula (Hill Notation):
C25H20BrN5O3
Molecular Weight:
518.36
MDL number:
MFCD00327460
UNSPSC Code:
51101500
PubChem Substance ID:
329770838
NACRES:
NA.77

Assay

≥98% (HPLC)

form

powder

solubility

DMSO: >5 mg/mL

storage temp.

2-8°C

SMILES string

C\C(=N/NC(=O)C(NC(=O)c1ccccc1)C2=NNC(=O)c3ccccc23)c4cccc(Br)c4

InChI

1S/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+

InChI key

UCUHFWIFSHROPY-RWPZCVJISA-N

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
021M4602V

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