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Sigma-Aldrich

2-(2-Hydroxyphenyl)benzothiazole

97%

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About This Item

Empirical Formula (Hill Notation):
C13H9NOS
CAS Number:
3411-95-8
Molecular Weight:
227.28
EC Number:
222-299-9
MDL number:
MFCD00022869
UNSPSC Code:
12352100
PubChem Substance ID:
24882493
NACRES:
NA.22

Assay

97%

form

solid

mp

128-132 °C (lit.)

SMILES string

Oc1ccccc1-c2nc3ccccc3s2

InChI

1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H

InChI key

MVVGSPCXHRFDDR-UHFFFAOYSA-N

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Yi-Ping Tong et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 78(2), 809-817 (2011-01-11)
Two Ga(III) complexes with main ligand, 2-(2-hydroxyphenyl)benzothiazole (HL'), namely mixed-ligand ML2X-type [GaL'2X'] (1) (HX'=acetic acid, as ancillary ligand) and the meridianal tris-chelate [GaL'3] (2) have been investigated by the density functional theory (DFT/TDDFT) level calculations. Both 1 and 2 can
Junghwa Lee et al.
The journal of physical chemistry. A, 117(7), 1400-1405 (2013-02-05)
Proton transfer is one of the most important elementary reactions in chemistry and biology. The role of proton in the course of proton transfer, whether it is active or passive, has been the subject of intense investigations. Here we demonstrate
Pei Yang et al.
The Journal of organic chemistry, 77(14), 6166-6178 (2012-06-30)
Bodipy derivatives containing excited state intramolecular proton transfer (ESIPT) chromophores 2-(2-hydroxyphenyl) benzothiazole and benzoxazole (HBT and HBO) subunits were prepared (7-10). The compounds show red-shifted UV-vis absorption (530-580 nm; ε up to 50000 M(-1) cm(-1)) and emission compared to both
Nawee Kungwan et al.
Physical chemistry chemical physics : PCCP, 14(25), 9016-9025 (2012-04-13)
The dynamics of the excited-state proton transfer (ESPT) in a cluster of 2-(2'-hydroxyphenyl)benzothiazole (HBT) and hydrogen-bonded water molecules was investigated by means of quantum chemical simulations. Two different enol ground-state structures of HBT interacting with the water cluster were chosen
Jie Ma et al.
Chemical communications (Cambridge, England), 48(78), 9720-9722 (2012-08-24)
A new excited state intramolecular proton transfer chromophore of naphthalimide (NI) conjugated 2-(2-hydroxyphenyl) benzothiazole (HBT) was prepared which shows red shifted absorption and long-lived triplet excited states.
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