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Structure

5-Methyl-2-nitrobenzonitrile

CAS
64113-86-6
Catalog Number
ACM64113866
Category
Other Products
Molecular Weight
162.15
Molecular Formula
C8H6N2O2

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Specification

Synonyms
5-Methyl-2-nitrobenzonitrile, 6-Nitro-m-tolunitrile, 64113-86-6, AC1LBMYT, AC1Q2HKW, AC1Q4RB2, SureCN1343668, KSC495A3R, CTK3J5038, MolPort-001-845-270, ACT12436, ANW-50809, AR-1H2416, CL8230, AKOS006274208, RP22490, AK-35966, BR-35966, KB-73598, W7590
IUPAC Name
5-methyl-2-nitrobenzonitrile
Canonical SMILES
CC1=CC(=C(C=C1)[N+](=O)[O-])C#N
InChI Key
USQNWFKYQFQGLB-UHFFFAOYSA-N
Boiling Point
338.9ºC at 760 mmHg
Flash Point
158.8ºC
Density
1.26g/cm³
Exact Mass
162.04300
H-Bond Acceptor
3
H-Bond Donor
0

Downstream Synthesis Route 1

  • 64113-86-6
  • 19181-53-4

Reference: [1] Chemische Berichte, 1905, vol. 38, p. 3555

Downstream Synthesis Route 2

  • 64113-86-6
  • 2941-78-8

Reference: [1] Chemische Berichte, 1905, vol. 38, p. 3555

Downstream Synthesis Route 3

  • 64113-86-6
  • 5925-93-9

Reference: [1] Patent: US2008/306053, 2008, A1, . Location in patent: Page/Page column 60

Downstream Synthesis Route 4

  • 64113-86-6
  • 5925-93-9

Reference: [1]Patent: US2008/306053,2008,A1 .Location in patent: Page/Page column 60

Downstream Synthesis Route 5

  • 64113-86-6
  • 3113-72-2

Reference: [1]Patent: US2008/306053,2008,A1 .Location in patent: Page/Page column 60

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

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