1-[(Ammoniooxy)methyl]-3-(trifluoromethyl)benzene chloride

C₈H₉ClF₃NOCAS 15256-07-2227.61 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₈H₉ClF₃NO
Molar mass: 227.61 g/mol
Exact mass: 227.0325 Da
logP: 2.52Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15256-07-2

SMILES

C1=CC(=CC(=C1)C(F)(F)F)CON.Cl

InChIKey

DXEDFEUKJRKFOV-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-3-1-2-6(4-7)5-13-12;/h1-4H,5,12H2;1H

Weigh it out

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Work with 1-[(Ammoniooxy)methyl]-3-(trifluoromethyl)benzene chloride

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

3,3'-Bis(trifluoromethyl)diphenylmethane86845-35-456 % similar 3-(Trifluoromethyl)benzylamine2740-83-256 % similar O-Benzylhydroxylamine hydrochloride2687-43-653 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-053 % similar 3-(Trifluoromethyl)benzyl mercaptan25697-55-651 % similar 3-(Trifluoromethyl)benzylic alcohol349-75-751 % similar 3-(Trifluoromethyl)benzyl bromide402-23-351 % similar 3-(Trifluoromethyl)benzyl chloride705-29-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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