CAS 893739-89-4 4-Cyclopropyl-2-fluoroaniline (HCID 20100071)

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Basic information

CAS: 893739-89-4
Standard SMILES: Nc1ccc(C2CC2)cc1F
InChIKey: ORYUOTZNRAIMDX-UHFFFAOYSA-N
Molecular formula: C9H10FN
Average molar mass: 151.18 g/mol
Monoisotopic mass: 151.07972749

Names & identifiers

Preferred name: 4-Cyclopropyl-2-fluoroaniline
IUPAC: 4-cyclopropyl-2-fluoroaniline
English name: 4-Cyclopropyl-2-fluoroaniline
Molecular formula: C9H10FN
Molecular weight: 151.18

Names & synonyms

4-Cyclopropyl-2-fluoroaniline893739-89-44-Cyclopropyl-2-fluorophenylamineMFCD068025024-cyclopropyl-2-fluoro-aniline4-Cyclopropyl-2-fluoro-phenylamineSCHEMBL2394392-fluoro-4-cyclopropyl anilineDTXSID20602484ORYUOTZNRAIMDX-UHFFFAOYSA-NAKOS004119022SB75978

Show more names

AKOS BAR-1302Benzenamine, 4-cyclopropyl-2-fluoro-4-cyclopropyl-2-fluoroaniline - [AC79932]

SY249480DB-340243EN300-344940F039986A1-03996

Database identifiers

CAS: 893739-89-4
PubChem CID: 20100071
DTXSID: DTXSID20602484

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Physicochemical properties

Boiling point: 234 · 234.0±33.0 °C(Predicted)
Density: 1.22 · 1.220±0.06 g/cm3(Predicted)
pka: 3.42 · 3.42±0.10(Predicted)
InChI: InChI=1S/C9H10FN/c10-8-5-7(6-1-2-6)3-4-9(8)11/h3-6H,1-2,11H2
InChIKey: ORYUOTZNRAIMDX-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C2CC2)C=C1F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315-H302+H312+H332
Precautionary statements: 280 · P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P362+P364
HS Code: 2921490090 · 2921490090

Safety & regulation

Safety data

hs_code: 2921490090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315-H302+H312+H332
Precautionary statements: P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P362+P364

Chemistry & industry

Applications

Uses4-Cyclopropyl-2-fluorophenylamine is used in of arylamide derivatives as RAF/MEK complex stabilizers and/or MEK inhibitors and antitumor agents.