2,2',2''-s-Phenenyl-tris-benzothiazole (also known as 1,3,5-Tris(2-benzothiazolyl)benzene or TBB) is a star-shaped benzothiazole derivative with notable photophysical properties, including solvent-dependent absorption and fluorescence emission. In nonpolar solvents, it exhibits excited-state intramolecular proton transfer (ESIPT), leading to keto tautomer emission, while in polar solvents, deprotonated anion emission dominates. It also demonstrates solid-state near-infrared fluorescence, with emission wavelength tunability based on π-conjugation extension. Additionally, it has been explored as a selective fluorescent probe for Fe3? due to its pH tolerance and fast response.

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Basic information
1. Product Name: 2,2',2''-s-Phenenyl-tris-benzothiazole
2. Synonyms: 2,2',2''-s-Phenenyl-tris-benzothiazole
3. CAS NO:117310-81-3
4. Molecular Formula: C27H15N3S3
5. Molecular Weight: 477.62
6. EINECS: N/A
7. Product Categories: N/A
8. Mol File: 117310-81-3.mol
Chemical Properties
1. Melting Point: N/A
2. Boiling Point: N/A
3. Flash Point: N/A
4. Appearance: /
5. Density: N/A
6. Refractive Index: N/A
7. Storage Temp.: N/A
8. Solubility: N/A
9. CAS DataBase Reference: 2,2',2''-s-Phenenyl-tris-benzothiazole(CAS DataBase Reference)
10. NIST Chemistry Reference: 2,2',2''-s-Phenenyl-tris-benzothiazole(117310-81-3)
11. EPA Substance Registry System: 2,2',2''-s-Phenenyl-tris-benzothiazole(117310-81-3)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 117310-81-3(Hazardous Substances Data)

117310-81-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 117310-81-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,3,1 and 0 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 117310-81:
(8*1)+(7*1)+(6*7)+(5*3)+(4*1)+(3*0)+(2*8)+(1*1)=93
93 % 10 = 3
So 117310-81-3 is a valid CAS Registry Number.

117310-81-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name	1,3,5-tris(benzothiazol-2-yl)benzene

1.2 Other means of identification

Product number	-
Other names	1,3,5-trisbenzothiazolylbenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:117310-81-3 SDS

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117310-81-3Relevant articles and documents

A highly selective, pH-tolerable and fast-response fluorescent probe for Fe3+ based on star-shape benzothiazole derivative

Jiang, Kai,Wu, Yan-Cheng,Wu, Han-Qing,Li, Shu-Li,Luo, Shi-He,Wang, Zhao-Yang

, p. 52 - 58 (2018)

A star-shape benzothiazole-based molecule TBB, obtained through a simple condensation reaction of 2-aminothiophenol with 1,3,5-benzenetricarboxylic acid in the presence of available catalyst polyphosphoric acid (PPA), has been exploited as a highly select

Solvent dependent photophysical properties and near-infrared solid-state excited state intramolecular proton transfer (ESIPT) fluorescence of 2,4,6-trisbenzothiazolylphenol

Zhang, Xuan,Liu, Jing-Yun

, p. 80 - 88 (2016)

A new excited-state intramolecular proton transfer (ESIPT) fluorophore, 2,4,6-trisbenzothiazolylphenol (4), was synthesized and its photophysical properties were studied with steady state absorption and emission spectroscopy as well as time-dependent density functional theory calculation. It was found that 4 showed solvent dependent absorption and fluorescence emission. In the nonpolar solvents, ESIPT occurred and only keto tautomer emission at 570 nm was observed, whereas an emission at 510 nm from the deprotonated anion species was observed in polar solvents. With addition of fluoride, the keto emission was quenched, whereas the anion emission was drastically enhanced, making a ratiometric fluorescence sensing of fluoride achievable. In solid state, 4 showed a fluorescence emission at 605 nm, which is longer than those of 2,4-dibenzothiazolylphenol (575 nm) and 4-methyl-2,6-dibenzothiazolylphenol (592 nm) respectively. Thus, the color tuning of solid state ESIPT emission were achieved from green to yellow and near-infrared by extending of the π-conjugation.

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117310-81-3