CAS
27696-27-1 Purity
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27696-27-1 Purity
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Benzene,2-isocyano-1,3-dimethyl-
CAS
2769-71-3
Catalog Number
ACM2769713
Category
Other Products
Molecular Weight
131.17
Molecular Formula
C9H9 N
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Specification
Synonyms
2,6-Dimethylphenyl isocyanide, 2,6-Xyleneisonitrile, 2,6-Xylyl isocyanide, vic.-m-Xylyl isocyanide, 2,6-Dimethylphenylisonitrile, 41413_ALDRICH, 41413_FLUKA, TOS-BB-0780, AKE-BBV-001317, MolPort-000-148-275, CID76009, EINECS 220-459-2, Benzene, 2-isocyano-1,3-dimethyl-, NSC141690, STK893679, NSC 141690, Benzene, 2-isocyano-1,3-dimethyl- (9CI), 2769-71-3
IUPAC Name
2-isocyano-1,3-dimethylbenzene
Canonical SMILES
CC1=C(C(=CC=C1)C)[N+]#[C-]
InChI Key
DNJLFZHMJDSJFN-UHFFFAOYSA-N
Melting Point
72-75ºC
EC Number
220-459-2
Exact Mass
131.07300
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
22-36
WGK Germany
3
Upstream Synthesis Route 1
- 607-92-1
- 2769-71-3
Reference: [1]Ahmadian-Moghaddam, Maryam; Dömling, Alexander; Patil, Pravin
[Green Chemistry, 2020, vol. 22, # 20, p. 6902 - 6911]
Downstream Synthesis Route 1
- 2769-71-3
- 19241-16-8
Reference: [1]Arisawa, Mieko; Ashikawa, Masanori; Suwa, Atsushi; Yamaguchi, Masahiko
[Tetrahedron Letters, 2005, vol. 46, # 10, p. 1727 - 1729]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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