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392375

Sigma-Aldrich

IR-895

97%

Synonym(s):

Dimethyl{4-[1,7,7-tris(4-dimethylaminophenyl)-2,4,6-heptatrienylidene]-2,5-cyclohexadien-1-ylidene}ammonium perchlorate

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About This Item

Empirical Formula (Hill Notation):
C39H45ClN4O4
CAS Number:
34411-77-3
Molecular Weight:
669.25
MDL number:
MFCD00197997
UNSPSC Code:
12352103
PubChem Substance ID:
24864449
NACRES:
NA.23

assay

97%

form

solid

mp

220 °C (dec.) (lit.)

λmax

895 nm

SMILES string

[O-]Cl(=O)(=O)=O.CN(C)c1ccc(cc1)\C(=C\C=C\C=C\C(c2ccc(cc2)N(C)C)=C3\C=CC(\C=C3)=[N+](\C)C)c4ccc(cc4)N(C)C

InChI

1S/C39H45N4.ClHO4/c1-40(2)34-22-14-30(15-23-34)38(31-16-24-35(25-17-31)41(3)4)12-10-9-11-13-39(32-18-26-36(27-19-32)42(5)6)33-20-28-37(29-21-33)43(7)8;2-1(3,4)5/h9-29H,1-8H3;(H,2,3,4,5)/q+1;/p-1

InChI key

WEIPOKGKSDINKW-UHFFFAOYSA-M

Features and Benefits

Near IR dye.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

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Journal of the American Chemical Society, 80, 3772-3772 (1958)

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