1,2,3-Trimethylbenzene

C₉H₁₂CAS 526-73-8120.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂
Molar mass: 120.19 g/mol
Exact mass: 120.0939 Da
Density: 0.89 g/mL
Melting point: −25 °C
Boiling point: 176 °C
logP: 2.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

526-73-8

SMILES

Cc1cccc(C)c1C

InChIKey

FYGHSUNMUKGBRK-UHFFFAOYSA-N

InChI

InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

5 names

Benzene, 1,2,3-trimethyl-
Hemimellitene
Hemimellitol
NSC 5167
NSC 65599

Reactions

HEMIMELLITENE (Benzene, 1,2,3-trimethyl-)product

Work with 1,2,3-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

1-Iodo-2,3-dimethylbenzene31599-60-765 % similar 1-Bromo-2,3-dimethylbenzene576-23-865 % similar 1-Chloro-2,3-dimethylbenzene608-23-165 % similar 2,3-Xylidine87-59-265 % similar Prehnitene488-23-363 % similar Dimethylphenol1300-71-662 % similar 3-Fluoro-O-xylene443-82-362 % similar 2,3-Dimethylphenol526-75-062 % 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-Ethyl-2-methylbenzene611-14-3 1-Ethyl-3-methylbenzene620-14-4 4-Ethyltoluene622-96-8

Elsewhere

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