CAS 136-85-6 | 5-Methyl-1H-benzo[d][1,2,3]triazole | CAS Number 136-85-6

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136-85-6 | 5-Methyl-1H-benzo[d][1,2,3]triazole

CAS No: 136-85-6 Catalog No: AG003MUP MDL No:MFCD00005702

Product Description

Catalog Number:

AG003MUP

Chemical Name:

5-Methyl-1H-benzo[d][1,2,3]triazole

CAS Number:

136-85-6

Molecular Formula:

C7H7N3

Molecular Weight:

133.1506

MDL Number:

MFCD00005702

IUPAC Name:

5-methyl-2H-benzotriazole

InChI:

InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)

InChI Key:

LRUDIIUSNGCQKF-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)nn[nH]2

EC Number:

205-265-8

UNII:

O9DI72TU6U

NSC Number:

122012

RTECS Number:

DM1400000

Properties

Complexity:

126

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

133.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

133.154g/mol

Monoisotopic Mass:

133.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.	Journal of medicinal chemistry 20120614
Occurrence and removal of benzotriazoles and ultraviolet filters in a municipal wastewater treatment plant.	Environmental pollution (Barking, Essex : 1987) 20120601
Acute and chronic toxicity of benzotriazoles to aquatic organisms.	Environmental science and pollution research international 20120601
Identification of ozonation by-products of 4- and 5-methyl-1H-benzotriazole during the treatment of surface water to drinking water.	Water research 20120301
Simultaneous determination of benzotriazole and benzothiazole derivatives in aqueous matrices by mixed-mode solid-phase extraction followed by liquid chromatography–tandem mass spectrometry.	Analytical and bioanalytical chemistry 20120301
Seasonal source influence on river mass flows of benzotriazoles.	Journal of environmental monitoring : JEM 20120201
Simultaneous determination of benzotriazoles and ultraviolet filters in ground water, effluent and biosolid samples using gas chromatography-tandem mass spectrometry.	Journal of chromatography. A 20110805
Determination of benzotriazole and benzophenone UV filters in sediment and sewage sludge.	Environmental science & technology 20110501
Kinetics modeling and reaction mechanism of ferrate(VI) oxidation of benzotriazoles.	Water research 20110301
Occurrence of benzotriazoles in the rivers Main, Hengstbach, and Hegbach (Germany).	Environmental science and pollution research international 20090901
Waste-indicator and pharmaceutical compounds in landfill-leachate-affected ground water near Elkhart, Indiana, 2000-2002.	Bulletin of environmental contamination and toxicology 20090601
Detection of triazole deicing additives in soil samples from airports with low, mid, and large volume aircraft deicing activities.	Bulletin of environmental contamination and toxicology 20090301
Membrane bioreactors for municipal wastewater treatment - a viable option to reduce the amount of polar pollutants discharged into surface waters?	Water research 20080801
Potential-dependent sum frequency generation study of 5-methylbenzotriazole on polycrystalline copper, platinum, and gold.	The journal of physical chemistry. B 20060622
Characterization of aircraft deicer and anti-icer components and toxicity in airport snowbanks and snowmelt runoff.	Environmental science & technology 20060515
Studies of the environmental fate and effect of aircraft deicing fluids: detection of 5-methyl-1H-benzotriazole in the fathead minnow (Pimephales promelas).	Environmental toxicology and chemistry 20030101
Toxicity of benzotriazole and benzotriazole derivatives to three aquatic species.	Water research 20010201