2,4-Dichloro-5-fluoroaniline

C₆H₄Cl₂FNCAS 348-64-1180.00 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄Cl₂FN
Molar mass: 180.00 g/mol
Exact mass: 178.9705 Da
logP: 2.71Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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 2 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

348-64-1

SMILES

C1=C(C(=CC(=C1F)Cl)Cl)N

InChIKey

DKMSPQQQAXTFLP-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2FN/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,10H2

Weigh it out

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

Work with 2,4-Dichloro-5-fluoroaniline

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

4-Chloro-5-fluoro-O-phenylenediamine139512-70-278 % similar 2-Chloro-4,5-difluoroaniline2613-32-378 % similar 2,4,5-Trichloroaniline636-30-661 % similar 2,5-Dichloro-1,4-benzenediamine20103-09-759 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-959 % similar 4,5-Difluoro-1,2-phenylenediamine76179-40-352 % similar 2,2′,5,5′-Tetrachlorobenzidine15721-02-550 % similar 5-Amino-2,4-dichlorophenol39489-79-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dichloro-4-fluorobenzenamine2729-34-2 2,6-Dichloro-4-fluorobenzenamine344-19-4

Elsewhere

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