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454451

Sigma-Aldrich

2-(2-Benzothiazolylthio)ethanol

95%

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About This Item

Empirical Formula (Hill Notation):
C9H9NOS2
CAS Number:
4665-63-8
Molecular Weight:
211.30
MDL number:
MFCD00463760
UNSPSC Code:
12352100
PubChem Substance ID:
24868917
NACRES:
NA.22
Assay:
95%

Quality Level

100

Assay

95%

mp

50-55 °C (lit.)

functional group

hydroxyl
thioether

SMILES string

OCCSc1nc2ccccc2s1

InChI

1S/C9H9NOS2/c11-5-6-12-9-10-7-3-1-2-4-8(7)13-9/h1-4,11H,5-6H2

InChI key

PYNOHHMFQYUSDD-UHFFFAOYSA-N

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - 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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

454451-BULK:
454451-5G:
454451-VAR:
454451-25G:

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Certificates of Analysis (COA)

Lot/Batch Number
STBD9561V
S36933V
00814LE
S36933
09412KQ

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Christine Hug et al.
Environmental pollution (Barking, Essex : 1987), 184, 25-32 (2013-09-10)
To detect site-specific, suspected and formerly unknown contaminants in a wastewater treatment plant effluent, we established a screening procedure based on liquid chromatography-high resolution mass spectrometry (LC-HRMS) with stepwise identification schemes. Based on automated substructure searches a list of 2160
M C Petersen et al.
Journal of pharmaceutical sciences, 70(10), 1139-1143 (1981-10-01)
A contaminant was found to leach into the contents of two brands of disposable syringes. It was identified as 2-(2-hydroxyethylmercapto) benzothiazole and is believed to be formed during manufacture of the syringes as a result of a reaction between 2-mercaptobenzothiazole
Leaching of a contaminant into the contents of disposable syringes.
M C Petersen et al.
Australian and New Zealand journal of medicine, 11(2), 208-209 (1981-04-01)
Ruchi Srivastava et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 136 Pt C, 1205-1215 (2014-12-03)
Quantum chemical calculations of ground state energy, geometrical structure and vibrational wavenumbers, nuclear magnetic behaviors, electronic absorption spectra along with the nonlinear optical properties of 2-(2-benzothiazolylthio)-ethanol (BTZTE) were carried out using density functional (DFT/B3LYP) method with 6-311++G(d,p) as basis set.

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