643610
Bis(1-benzotriazolyl)methanethione
97%
Synonym(s):
1,1′-(Thiocarbonyl)bis-1H-benzotriazole
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About This Item
Empirical Formula (Hill Notation):
C13H8N6S
CAS Number:
Molecular Weight:
280.31
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
Assay
97%
form
solid
reaction suitability
reaction type: C-C Bond Formation
mp
170-174 °C (lit.)
functional group
thiourea
storage temp.
2-8°C
SMILES string
S=C(n1nnc2ccccc12)n3nnc4ccccc34
InChI
1S/C13H8N6S/c20-13(18-11-7-3-1-5-9(11)14-16-18)19-12-8-4-2-6-10(12)15-17-19/h1-8H
InChI key
ZRXHYHZENMJKMG-UHFFFAOYSA-N
Application
Reactant used as a thioacylating agent
Reactant involved in:
Reactant involved in:
- Multicomponent heterocyclization reactions
- Synthesis of substituted thiosemicarbazides and N-hydroxythioureas
- Guanylation of amines
Other Notes
Thiophosgene equivalent
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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