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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:
4314-19-6
Molecular Weight:
280.31
UNSPSC Code:
12352005
PubChem Substance ID:
24883283
MDL number:
MFCD00424275
Assay:
97%
Form:
solid
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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:


  • Multicomponent heterocyclization reactions
  • Synthesis of substituted thiosemicarbazides and N-hydroxythioureas
  • Guanylation of amines

Other Notes

Thiophosgene equivalent

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - 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
MKCK1383
MKBL6648V
MKBG4641V
08921CJ
05704EC

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Global Trade Item Number

SKUGTIN
643610-500MG04061833473689