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1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride | CAS No. 6320-14-5

1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride

Basic Information

Chemical_Structure_Of
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CAS Number

6320-14-5

Molecular Formula

C25H29ClN2

Molecular Weight

393 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

268-270°C

SMILES

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CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-]

InChI

InChI=1S/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1

InChIKey

QCGOYKXFFGQDFY-UHFFFAOYSA-M

LogP

2.58810

Complexity

623

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Astrafloksin
  • (2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole,chloride
  • Astraphloxine
  • Tokyo Aniline Astraphloxine FF
  • 3H-Indolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, chloride
  • Cosmophloxine F
  • Basic Red 12
  • NSC31780
  • C.I. 48070
  • 3H-Indolium,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, chloride
  • 3H-Indolium,3,3-trimethyl-2-[3-(1,3,3-trimethyl-2-indolinylidene)propenyl]-, chloride
  • C.I. Basic Red 12
  • Acronol Phloxine FF
  • 6320-14-5
  • AS-13993
  • (2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole;chloride
  • Brilliant Pink AS
  • Astraphloxin
  • Astra Phloxine G Extra
  • A914840
  • MFCD00071911
  • SCHEMBL16111523
  • NSC-31780
  • Aizen Astra Phloxine FF
  • Astra Phloxine
  • Basic Red 12
  • 1,3-Bis-(1,3,3-trimethyl-3H-indol-2-yl)-trimethinium,Chlorid
  • 1,3-bis-(1,3,3-trimethyl-3H-indol-2-yl)-trimethinium,chloride
  • astra phloxin FF
  • 1,3,3,1',3',3'-Hexamethylindocarbocyanine chloride
  • 1,3,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydroindol-2-ylidene)propenyl]-3H-indolium chloride

MDL Number

MFCD01112280

FAQ

What are the physical and chemical properties of 1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride (CAS: 6320-14-5)?
1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride is a crystalline compound with a molecular weight of approximately 438.4 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and acetonitrile. This compound is known for its stability and reactivity in organic reactions, particularly in electrophilic aromatic substitution reactions.

How is 1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride (CAS: 6320-14-5) typically synthesized?
1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride is synthesized through a multi-step process involving the condensation of 1,3,3-trimethylindol-2-ylideneprop-1-en-1-yl chloride with 1,3,3-trimethylindol-2-ylidene. The reaction typically requires heating and the use of a solvent like dichloromethane, with a yield of around 70%.

What industries use 1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride (CAS: 6320-14-5)?
1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride is primarily used in the pharmaceutical industry for the synthesis of a variety of indole-based compounds. It also finds applications in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride (CAS: 6320-14-5)?
When handling 1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. In case of spills, the area should be cleaned up with appropriate absorbent materials, and the material safety data sheet (MSDS) should be referenced for detailed information.

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Supplier Information

HuBeiGuoYunFuRui Technology Co Ltd

CAS Number: 6320-14-5

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Hangzhou Yaorieyicheng Biopharmaceutical Co., Ltd.

CAS Number: 6320-14-5

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Nantong Runfeng Petrochemical Corporation Limited

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Hubei Shixing Chemical Co., Ltd.

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Hengshui Huabang Chemical Co., Ltd.

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Hubei Rike Chemical Co., Ltd.

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Shanghai Aladdin Bio-Technologies Co., Ltd.

CAS Number: 6320-14-5

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1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

CAS Number: 6320-14-5

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(2E)-1,3,3-TRIMETHYL-2-[(E)-3-(1,3,3-TRIMETHYLINDOL-1-IUM-2-YL)PROP-2-ENYLIDENE]INDOLE;CHLORIDE — Finetech Industry Limited

Finetech Industry Limited

CAS Number: 6320-14-5

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BASIC RED 12 — Adipogen Corporation

Adipogen Corporation

CAS Number: 6320-14-5

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