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654582

N-(2-Propenyl)-1H-benzotriazole-1-carbothioamide

Name: <I>N</I>-(2-Propenyl)-1<I>H</I>-benzotriazole-1-carbothioamide
Brand: ALDRICH

96%

Synonym(s):

Benzotriazole-1-carbothioic acid allylamide

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About This Item

Empirical Formula (Hill Notation):

C₁₀H₁₀N₄S

CAS Number:

690634-06-1

Molecular Weight:

218.28

NACRES:

NA.22

PubChem Substance ID:

24884045

UNSPSC Code:

12352005

MDL number:

MFCD05149230

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Properties

assay

96%

form

solid

reaction suitability

reaction type: C-C Bond Formation

mp

56-60 °C

storage temp.

2-8°C

SMILES string

C=CCNC(=S)n1nnc2ccccc12

InChI

1S/C10H10N4S/c1-2-7-11-10(15)14-9-6-4-3-5-8(9)12-13-14/h2-6H,1,7H2,(H,11,15)

InChI key

NEHKVFMFTNUABB-UHFFFAOYSA-N

Description

Application

Reactant for preparation of:

Substituted thiosemicarbazides and N-hydroxythioureas by substitution reactions with hydrazines or hydroxylamines

Used as:

Thioacylating agent in the preparation of thioureas

pictograms

GHS05,GHS07

signalword

Danger

hcodes

H302,H315,H318,H335

pcodes

P261 - P280 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number

09406HD

05304ED

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