654582

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

96%

• Synonym(s): Benzotriazole-1-carbothioic acid allylamide
• Empirical Formula (Hill Notation): C₁₀H₁₀N₄S
• CAS Number: 690634-06-1
• Molecular Weight: 218.28
• MDL number: MFCD05149230
• UNSPSC Code: 12352005
• PubChem Substance ID: 24884045
• NACRES: NA.22

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

Safety Information

• 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_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves