1-Methyl-4-(trifluoromethyl)benzene

C8H7F3CAS 6140-17-6160.14 g/mol

Open in Covalent MOL file
FFF
Alkyl halide

Properties

Molecular formula
C8H7F3
Molar mass
160.14 g/mol
Exact mass
160.0500 Da
Melting point
129–130 °C
Boiling point
129 °C
logP
3.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
6140-17-6
SMILES
Cc1ccc(C(F)(F)F)cc1
InChIKey
LRLRAYMYEXQKID-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3

Weigh it out

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Names and synonyms

9 names
  • Benzene, 1-methyl-4-(trifluoromethyl)-
  • p-Xylene, α,α,α-trifluoro-
  • α,α,α-Trifluoro-p-xylene
  • p-(Trifluoromethyl)toluene
  • 4-Methylbenzotrifluoride
  • 4-(Trifluoromethyl)toluene
  • 1-(Trifluoromethyl)-4-methylbenzene
  • 4-Methyl-1-(trifluoromethyl)benzene
  • p-Methylbenzotrifluoride

Work with 1-Methyl-4-(trifluoromethyl)benzene

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

1,4-Bis(trifluoromethyl)benzene433-19-267 % similar 1,1'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4-methylbenzene)1095-77-858 % similar 3,5-Bis(trifluoromethyl)toluene75462-61-257 % similar 4-(Heptafluoroisopropyl)toluene2396-26-156 % similar 4-Fluorobenzotrifluoride402-44-852 % similar 4-tert-Butyltoluene98-51-152 % similar P-Xylene106-42-350 % similar Tris(4-trifluoromethylphenyl)phosphine13406-29-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-2-(trifluoromethyl)benzene13630-19-8 1-Methyl-3-(trifluoromethyl)benzene401-79-6

Elsewhere

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