| Identification | Back Directory | [Name]
N-BENZYL-1H-BENZOTRIAZOLE-1-CARBOTHIOAM& | [CAS]
690634-11-8 | [Synonyms]
N-BENZYL-1H-BENZOTRIAZOLE-1-CARBOTHIOAM&
1H-Benzotriazole-1-carbothioamide, N-(phenylmethyl)-
Benzotriazole-1-carbothioic acid benzylamide, N-(Phenylmethyl)-1H-benzotriazole-1-carbothioamide | [Molecular Formula]
C14H12N4S | [MDL Number]
MFCD05149407 | [MOL File]
690634-11-8.mol | [Molecular Weight]
268.34 |
| Chemical Properties | Back Directory | [Melting point ]
112-116 °C(lit.) | [Boiling point ]
451.9±38.0 °C(Predicted) | [density ]
1.30±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
solid | [pka]
10.44±0.70(Predicted) | [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) | [InChIKey]
ANAZVFTXAPJJLT-UHFFFAOYSA-N | [SMILES]
S=C(NCc1ccccc1)n2nnc3ccccc23 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22 | [Safety Statements ]
36/37 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Uses]
New Benzotriazole Reagents
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
| [reaction suitability]
reaction type: C-C Bond Formation |
|
| Company Name: |
Sigma-Aldrich
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https://www.sigmaaldrich.cn |
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