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Key Documents

Safety Information

367990

Sigma-Aldrich

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:
Molecular Weight:
158.16
Beilstein:
7762310
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

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

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Application

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

Pictograms

Exclamation mark

Signal Word

Warning

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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