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654612

Sigma-Aldrich

N-Benzyl-1H-benzotriazole-1-carbothioamide

97%

Synonym(s):

N-(Phenylmethyl)-1H-benzotriazole-1-carbothioamide, Benzotriazole-1-carbothioic acid benzylamide

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About This Item

Empirical Formula (Hill Notation):
C14H12N4S
CAS Number:
Molecular Weight:
268.34
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

assay

97%

form

solid

reaction suitability

reaction type: C-C Bond Formation

mp

112-116 °C (lit.)

functional group

amine
phenyl
thiourea

storage temp.

2-8°C

SMILES string

S=C(NCc1ccccc1)n2nnc3ccccc23

InChI

1S/C14H12N4S/c19-14(15-10-11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-17-18/h1-9H,10H2,(H,15,19)

InChI key

ANAZVFTXAPJJLT-UHFFFAOYSA-N

Application

Used as:


  • Corrosion inhibitor during copper corrosion in acid solutions
Reactant for:


  • C-thiocarbamoylation reactions
  • Condensation reactions
  • Preparation of diversely substituted thiosemicarbazides and N-hydroxythioureas via substitution reaction with hydrazines or hydroxylamines
  • Guanylation of diverse amines

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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