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IR 786 iodide

IR 786 iodide structure

CAS No:
56289-67-9
Formula:
C32H36ClN2.I
Chemical Name:
IR 786 iodide
Synonyms:
3H-Indolium,2-[2-[2-chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-,iodide (1:1);3H-Indolium,2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-,iodide;1,1′,3,3,3′,3′-Hexamethyl-11-chloro-10,12-trimethyleneindotricarbocyanine iodide;IR 786 iodide;ADS 775MI
Categories:
Organic Chemistry > Boron Compounds

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IR 786 iodide Basic Attributes

Molecular Weight：

611

Exact Mass：

610.16100

Characteristics

PSA：

6.25000

XLogP3：

5.19130

Melting Point：

270 °C (dec.)(lit.)

Safety Information

wgk germany：

hazard class code：

42/43-63

safety instructions：

22-26-36/37/39

Marks：

GHS Classification：

|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P201, P202, P261, P272, P280, P281, P285, P302+P352, P304+P341, P308+P313, P321, P333+P313, P342+P311, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

IR 786 iodide Use and Manufacturing

Infrared laser dye.

Computed Properties

Molecular Weight:611.0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:610.16117
Monoisotopic Mass:610.16117
Topological Polar Surface Area:6.2
Heavy Atom Count:36
Complexity:931
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol- 2-ylidene) ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3- trimethylindolium iodide

CAS No.: 56289-67-9

Content: 99%

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