Basic information
- CAS
19764-96-6- Standard SMILES
CN1C(=CC=CC=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[I-]- InChIKey
JKXWXYURKUEZHV-UHFFFAOYSA-M- Molecular formula
- C29H33IN2
- Average molar mass
- 536.5 g/mol
- Monoisotopic mass
- 536.16885
Overview
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Names & identifiers
- Preferred name
- 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide
- IUPAC
- 1,3,3-trimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole iodide
- English name
- 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide
- Molecular formula
- C29H33IN2
- Molecular weight
- 536.49
Names & synonyms
1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodideDTXSID808850943H-Indolium, 2-(7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl)-1,3,3-trimethyl-, iodide (1:1)3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, iodide (1:1)2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)hepta-1,3,5-trienyl]-1,3,3-trimethyl-3H-indolium iodideRefChem:408910DTXCID6010244972-(7-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)hepta-1,3,5-trienyl)-1,3,3-trimethyl-3H-indolium iodide2(7(1,3Dihydro1,3,3trimethyl2Hindol2ylidene)hepta1,3,5trienyl)1,3,3trimethyl3Hindolium iodide243-282-23HIndolium, 2(7(1,3dihydro1,3,3trimethyl2Hindol2ylidene)1,3,5heptatrien1yl)1,3,3trimethyl, iodide (1:1)3HIndolium, 2(7(1,3dihydro1,3,3trimethyl2Hindol2ylidene)1,3,5heptatrienyl)1,3,3trimethyl, iodide
Show more names
S2364HITC IODIDE3,3-trimethyl-rienyl]-iodide1 1' 3 3 3' 3'-HEXAMETHYLINDOTRICARBO- &
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 756
Experimental & physicochemical properties
Chemical ClassesDyes -> Carbocyanine Dyes
Physical DescriptionGreen to gold-brown powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 198 °C · 198 °C (dec.)(lit.)
- form
- solid
- λmax
- 740 nm · 740 nm
- InChI
- 1S/C29H33N2.HI/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;/h7-21H,1-6H3;1H/q+1;/p-1
- InChIKey
- JKXWXYURKUEZHV-UHFFFAOYSA-M
- SMILES
- [I-].CN1c2ccccc2C(C)(C)\C1=C\C=C\C=C\C=C\C3=[N+](C)c4ccccc4C3(C)C
- EPA Substance Registry System
- 3 H-Indolium, · 3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-, iodide (19764-96-6)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryContains less than 2% non-denatured ethyl alcohol as residual from manufacture; An irritant; May have a narcotic effect (CNS depression); May cause heart damage; Targets the liver and nerves; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety & protection
Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapors (iodides)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 32049000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
Chemistry & industry
Uses & manufacturing
UsesLaser dye; [Aldrich MSDS]
General Manufacturing Information3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, iodide (1:1): ACTIVE
Applications
Description1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide is a highly potent fluorescent dye widely utilized in biomedical research and proves invaluable for cell labeling and monitoring, as well as tracking cellular processes in real-time. This remarkable dye showcases exceptional aptitude in investigating mitochondrial function and dynamics. Furthermore, it boasts an ability to detect and precisely identify specific proteins and organelles residing within cells. Its diverse applications extend to dissecting ailments like cancer, neurodegenerative disorders, and even cardiovascular diseases.
UsesSuitable as laser dye
Suppliers22 total
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
济南可为生物科技有限公司15315592897 · [email protected]
江西洛特化工有限公司+8615270827708 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Related reactions
0 records
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Compound notes
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