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Structure

Benzene,1-isocyano-4-(trifluoromethyl)-

CAS
139032-23-8
Catalog Number
ACM139032238
Category
Other Products
Molecular Weight
171.12
Molecular Formula
C8H4F3N

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Specification

Synonyms
4-ISOCYANOBENZOTRIFLUORIDE;1-ISOCYANO-4-(TRIFLUOROMETHYL)BENZENE;Benzene, 1-isocyano-4-(trifluoromethyl)- (9CI)
IUPAC Name
1-isocyano-4-(trifluoromethyl)benzene
Canonical SMILES
[C-]#[N+]C1=CC=C(C=C1)C(F)(F)F
InChI Key
MPEHAMDFHFAQLB-UHFFFAOYSA-N
Exact Mass
171.03000
H-Bond Acceptor
4
H-Bond Donor
0

Downstream Synthesis Route 1

  • 110-86-1
  • 139032-23-8
  • 274-87-3

Reference: [1] Tetrahedron Letters, 2005, vol. 46, # 29, p. 4851 - 4854

Downstream Synthesis Route 2

  • 50-00-0
  • 139032-23-8
  • 120737-78-2
  • 1354947-69-5

Reference: [1]Patent: WO2012/4604,2012,A1 .Location in patent: Page/Page column 53-54

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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