7-Amino-4-(trifluoromethyl)coumarin

C₁₀H₆F₃NO₂CAS 53518-15-3229.16 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₁₀H₆F₃NO₂
Molar mass: 229.16 g/mol
Exact mass: 229.0351 Da
Density: 1.59 g/mL
Melting point: 218.8 °C
logP: 2.39Crippen estimate
Polar surface area: 56.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53518-15-3

SMILES

Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1

InChIKey

JBNOVHJXQSHGRL-UHFFFAOYSA-N

InChI

InChI=1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2

Weigh it out

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

Names and synonyms

6 names

2H-1-Benzopyran-2-one, 7-amino-4-(trifluoromethyl)-
7-Amino-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Coumarin 151
Coumarin 490
4-(Trifluoromethyl)-7-aminocoumarin
NSC 337981

Work with 7-Amino-4-(trifluoromethyl)coumarin

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

Similar compounds

7-Hydroxy-4-(trifluoromethyl)coumarin575-03-165 % similar 7-Amino-4-methylcoumarin26093-31-257 % similar 6-Chloro-7-hydroxy-4-(trifluoromethyl)coumarin119179-66-750 % similar 7-Amino-4-(methoxymethyl)-2H-chromen-2-one175205-10-450 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-647 % similar 2,2'-Bis(trifluoromethyl)benzidine341-58-245 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-343 % similar 3-Dibenzofuranamine4106-66-543 % similar

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

Same formula

3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile122454-46-0 6-(Trifluoromethoxy)-4-quinolinol175203-87-9 6-(Trifluoromethyl)-1H-indole-2-carboxylic acid327-20-8 5-Trifluoromethyl-1H-indole-2-carboxylic acid496946-78-2

Elsewhere

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