chempirical

1,2,4-Trimethylbenzene

C9H12CAS 95-63-6120.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H12
Molar mass
120.19 g/mol
Exact mass
120.0939 Da
Density
0.8761 g/mL (at 20 °C)
Melting point
−43.8 °C
Boiling point
168.89 °C
logP
2.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
95-63-6
SMILES
Cc1ccc(C)c(C)c1
InChIKey
GWHJZXXIDMPWGX-UHFFFAOYSA-N
InChI
InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • Benzene, 1,2,4-trimethyl-
  • ψ-Cumene
  • Pseudocumene
  • Pseudocumol
  • 1,3,4-Trimethylbenzene
  • 1,2,5-Trimethylbenzene
  • Methyl-p-xylene
  • NSC 65600
  • Pseudo-Cumene
  • 3,4-Dimethyltoluene

Work with 1,2,4-Trimethylbenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Iodo-1,4-dimethylbenzene1122-42-559 % similar 1-Iodo-2,4-dimethylbenzene4214-28-259 % similar Chloro-P-xylene95-72-759 % similar 2,4-Dimethylphenol105-67-957 % similar 2,4-Dimethylbenzenethiol13616-82-557 % similar 2,5-Dimethylbenzenethiol4001-61-057 % similar 1-Bromo-2,4-dimethylbenzene583-70-057 % similar 2,4-Xylidine95-68-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

n-Propylbenzene103-65-1 Mesitylene108-67-8 Ethylidene norbornene16219-75-3 1,8-Nonadiyne2396-65-8 Vinyl norbornene3048-64-4 1,2,3-Trimethylbenzene526-73-8 1-Ethyl-2-methylbenzene611-14-3 1-Ethyl-3-methylbenzene620-14-4

Elsewhere

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