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Key Documents

90487

Sigma-Aldrich

NIR 5e

suitable for fluorescence, ≥80% (HPCE), BioReagent

Synonym(s):

1,1′-Bis(3-isothiocyanatopropyl)-11-chloro-4,5:4′,5′-dibenzo-3,3,3′,3′-tetramethyl-10,12-trimethylenindotricarbocyanine bromide

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About This Item

Empirical Formula (Hill Notation):
C46H46BrClN4S2
CAS Number:
Molecular Weight:
834.37
MDL number:
UNSPSC Code:
12352108
PubChem Substance ID:
NACRES:
NA.32

product line

BioReagent

Assay

≥80% (HPCE)

form

crystals

fluorescence

λex 822 nm; λem 844 nm in methanol

suitability

suitable for fluorescence

storage temp.

2-8°C

SMILES string

[Br-].CC1(C)\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCN=C=S)c4ccc5ccccc5c4C3(C)C)=C2Cl)N(CCCN=C=S)c6ccc7ccccc7c16

InChI

1S/C46H46ClN4S2.BrH/c1-45(2)40(50(28-10-26-48-30-52)38-22-18-32-12-5-7-16-36(32)42(38)45)24-20-34-14-9-15-35(44(34)47)21-25-41-46(3,4)43-37-17-8-6-13-33(37)19-23-39(43)51(41)29-11-27-49-31-53;/h5-8,12-13,16-25H,9-11,14-15,26-29H2,1-4H3;1H/q+1;/p-1

InChI key

NTQGWDKAUSUQIS-UHFFFAOYSA-M

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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