2,3,5,6-Tetrafluoroanisole

C7H4F4OCAS 2324-98-3180.10 g/mol

Open in Covalent MOL file
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Aryl halideEther

Properties

Molecular formula
C7H4F4O
Molar mass
180.10 g/mol
Exact mass
180.0198 Da
Boiling point
138 °C
logP
2.25Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
2324-98-3
SMILES
COc1c(F)c(F)cc(F)c1F
InChIKey
AXCOCGJDERQVDK-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,2,4,5-tetrafluoro-3-methoxy-
  • Anisole, 2,3,5,6-tetrafluoro-
  • 1,2,4,5-Tetrafluoro-3-methoxybenzene
  • NSC 96891

Work with 2,3,5,6-Tetrafluoroanisole

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

2,3,6-Trifluoroanisole4920-34-764 % similar Pentafluoromethoxybenzene389-40-259 % similar 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-558 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-158 % similar 2,4,5-Trifluoro-3-methoxybenzoyl chloride112811-66-258 % similar 2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester136897-64-858 % similar 4,4'-Dimethoxyoctafluorobiphenyl2200-71-754 % similar 4-Bromo-2,6-difluoroanisole104197-14-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)fluorobenzene1077-01-6 4-Fluoro-2-(trifluoromethyl)phenol130047-19-7 2-Fluoro-5-(trifluoromethyl)phenol141483-15-0 3-Fluoro-5-(trifluoromethyl)phenol172333-87-8 2-Fluoro-3-(trifluoromethyl)phenol207291-85-8 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-5 5-Fluoro-2-(trifluoromethyl)phenol243459-91-8 1-Fluoro-4-(trifluoromethoxy)benzene352-67-0

Elsewhere

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