3-(Trifluoromethyl)phenyltrimethylammonium hydroxide

C₁₀H₁₄F₃NOCAS 68254-41-1221.22 g/mol

Open in Covalent MOL file

Alkyl halide Quaternary ammonium

Properties

Molecular formula: C₁₀H₁₄F₃NO
Molar mass: 221.22 g/mol
Exact mass: 221.1027 Da
logP: 2.73Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H224 Extremely flammable liquid and vapor66.7% of notifiers
H225 Highly Flammable liquid and vapor16.7% of notifiers
H301 Toxic if swallowed83.3% of notifiers
H311 Toxic in contact with skin83.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H330 Fatal if inhaled83.3% of notifiers
H370 Causes damage to organs66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P308+P316, P316, P320, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

68254-41-1

SMILES

C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]

InChIKey

BFPOZPZYPNVMHU-UHFFFAOYSA-M

InChI

InChI=1S/C10H13F3N.H2O/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;/h4-7H,1-3H3;1H2/q+1;/p-1

Weigh it out

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

Names and synonyms

1 names

N,N,N-Trimethyl-3-(trifluoromethyl)anilinium hydroxide

Work with 3-(Trifluoromethyl)phenyltrimethylammonium hydroxide

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-(Trifluoromethyl)phenyltrimethylammonium iodide27389-57-7Salt

Similar compounds

3,5-Bis(trifluoromethyl)benzene402-31-352 % similar Trimethylphenylammonium hydroxide1899-02-148 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-647 % similar Alpha,alpha,alpha,3-Tetrafluorotoluene401-80-945 % similar 3-Chlorobenzotrifluoride98-15-744 % similar 1-Methoxy-3-(trifluoromethyl)benzene454-90-043 % similar 1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-843 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-543 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook