CAS 84324-66-3 2,4-difluoro-N-(pyridin-3-ylmethyl)aniline (HCID 11096129)

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Basic information

CAS: 84324-66-3
Standard SMILES: Fc1ccc(NCc2cccnc2)c(F)c1
InChIKey: LDRSQLVXBAGLIR-UHFFFAOYSA-N
Molecular formula: C12H10F2N2
Average molar mass: 220.22 g/mol

Names & identifiers

Preferred name: 2,4-difluoro-N-(pyridin-3-ylmethyl)aniline
IUPAC: 2,4-difluoro-N-(pyridin-3-ylmethyl)aniline
English name: 2,4-difluoro-N-(pyridin-3-ylmethyl)aniline
Molecular formula: C12H10F2N2
Molecular weight: 220.22

Names & synonyms

2,4-difluoro-N-(pyridin-3-ylmethyl)aniline84324-66-32,4-difluoro-N-[(pyridin-3-yl)methyl]anilineSCHEMBL8773039LDRSQLVXBAGLIR-UHFFFAOYSA-NAKOS0002388373-(2,4-difluorophenylaminomethyl)pyridineEN300-43056G26569AB00999669-01N-(2,4-Difluorophenyl)-N-(3-pyridylmethyl)amineZ286529960

Show more names

N-(2,4-Difluorophenyl)-3-pyridinemethanamine3-Pyridinemethanamine, N-(2,4-difluorophenyl)-

Database identifiers

CAS: 84324-66-3
PubChem CID: 11096129
EC Number: 155-008-8

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 213

Physicochemical properties

Boiling point: 322.1 · 322.1±42.0 °C(Predicted)
Density: 1.286 · 1.286±0.06 g/cm3(Predicted)
pka: 4.92 · 4.92±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.