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367990

1H-Benzotriazol-1-ylmethyl isocyanide

94%

Synonym(s):

1-(Isocyanomethyl)-1H-benzotriazole

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About This Item

Empirical Formula (Hill Notation):
C8H6N4
CAS Number:
87022-42-2
Molecular Weight:
158.16
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
24862876
MDL number:
MFCD00961633
Beilstein/REAXYS Number:
7762310
Assay:
94%
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assay

94%

reaction suitability

reaction type: C-C Bond Formation

mp

80-84 °C (lit.)

functional group

amine, isonitrile

SMILES string

[C-]#[N+]Cn1nnc2ccccc12

InChI

1S/C8H6N4/c1-9-6-12-8-5-3-2-4-7(8)10-11-12/h2-5H,6H2

InChI key

YZTNZXMSOPEFKC-UHFFFAOYSA-N

Application

Reactant for:
  • Passerini condensation
  • Ugi type reactions
  • Heterocyclization with imines
  • Preparation of silver (isocyanomethyl)benzotriazole polymeric complex

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
04107CJ
09218AJ
10718ME
07114PD
14927DS

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Global Trade Item Number

SKUGTIN
367990-1G04061831832655