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Merck
CN

15167

NIR-797 isothiocyanate

suitable for fluorescence, ≥70% (coupling to amines)

Synonym(s):

1,1′-Bis(4-sulfobutyl)-11-(4-isothiocyanatophenylthio)-3,3,3′,3′-tetramethyl-10,12-tri methyleneindotricarbocyanine monosodium salt

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About This Item

Empirical Formula (Hill Notation):
C45H50N3NaO6S4
CAS Number:
152111-91-6
Molecular Weight:
880.14
UNSPSC Code:
12352108
NACRES:
NA.32
PubChem Substance ID:
329750761
MDL number:
MFCD01862952
Beilstein/REAXYS Number:
6681910

Key Documents

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Product Name

NIR-797 isothiocyanate, suitable for fluorescence, ≥70% (coupling to amines)

InChI

1S/C45H51N3O6S4.Na/c1-44(2)37-16-5-7-18-39(37)47(28-9-11-30-57(49,50)51)41(44)26-20-33-14-13-15-34(43(33)56-36-24-22-35(23-25-36)46-32-55)21-27-42-45(3,4)38-17-6-8-19-40(38)48(42)29-10-12-31-58(52,53)54;/h5-8,16-27H,9-15,28-31H2,1-4H3,(H-,49,50,51,52,53,54);/q;+1/p-1

SMILES string

[Na+].CC1(C)/C(=C\C=C2/CCCC(\C=C\C3=[N+](CCCCS([O-])(=O)=O)c4ccccc4C3(C)C)=C2Sc5ccc(cc5)N=C=S)N(CCCCS([O-])(=O)=O)c6ccccc16

InChI key

URQBXUCJHTXMKS-UHFFFAOYSA-M

assay

≥70% (coupling to amines)

form

powder

fluorescence

λex 795 nm; λem 817 nm in 0.1 M phosphate pH 7.0

suitability

suitable for fluorescence

storage temp.

2-8°C

Quality Level

100

Other Notes

Near-infrared cyanine dyes for labeling of proteins

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL6903
BCCH4152
BCCC8691
BCCB5263
BCBX3997

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M. Lipowska et al.
Synthetic Communications, 23, 3087-3087 (1993)

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