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190446

Sigma-Aldrich

Benzotriazole

reagent grade, 97%

Synonym(s):

1,2,3-Benzotriazole, 1H-Benzotriazole

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About This Item

Empirical Formula (Hill Notation):
C6H5N3
CAS Number:
95-14-7
Molecular Weight:
119.12
Beilstein/REAXYS Number:
112133
EC Number:
202-394-1
MDL number:
MFCD00005699
UNSPSC Code:
12352100
PubChem Substance ID:
329751788

grade

reagent grade

vapor density

4.1 (vs air)

vapor pressure

0.04 mmHg ( 20 °C)

assay

97%

mp

97-99 °C (lit.)

SMILES string

c1ccc2[nH]nnc2c1

InChI

1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)

InChI key

QRUDEWIWKLJBPS-UHFFFAOYSA-N

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Description
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pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 2

flash_point_f

338.0 °F - closed cup

flash_point_c

170 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Qiang Huang et al.
European journal of medicinal chemistry, 46(11), 5680-5687 (2011-09-20)
Previously, we have reported the design and synthesis of 4-aryl-1H-1,2,3-triazoles as inhibitors of indoleamine 2,3-dioxygenase (IDO), a promising therapeutic target of cancer. Here, we present the structure-activity relationship and enzyme kinetic studies on a series of 4-aryl-1H-1,2,3-triazoles. Three compounds (1
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