4-Chloro-5-fluoro-O-phenylenediamine

C₆H₆ClFN₂CAS 139512-70-2160.58 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₆ClFN₂
Molar mass: 160.58 g/mol
Exact mass: 160.0204 Da
logP: 1.64Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic 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 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

139512-70-2

SMILES

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

InChIKey

BSMPRJISGCTCDC-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClFN2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

Weigh it out

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

Names and synonyms

1 names

4-Chloro-5-fluoro-1,2-phenylenediamine

Work with 4-Chloro-5-fluoro-O-phenylenediamine

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

2,4-Dichloro-5-fluoroaniline348-64-178 % similar 2-Chloro-4,5-difluoroaniline2613-32-367 % similar 4,5-Dichloro-1,2-phenylenediamine5348-42-562 % similar 4,5-Difluoro-1,2-phenylenediamine76179-40-362 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-655 % similar 2,5-Dichloro-1,4-benzenediamine20103-09-755 % similar Methyl 2-amino-4-chloro-5-fluorobenzoate104901-79-351 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-6-ethyl-5-fluoropyrimidine137234-74-3 3-Chloro-4-fluorophenylhydrazine84282-78-0

Elsewhere

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