4'-Fluoro(1,1'-biphenyl)-4-amine

HCID 9462

Notes Reactions

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Basic information

CAS: 324-93-6
Standard SMILES: Nc1ccc(-c2ccc(F)cc2)cc1
InChIKey: HTRVALPKPVGOSZ-UHFFFAOYSA-N
Molecular formula: C12H10FN
Average molar mass: 187.21 g/mol
Monoisotopic mass: 187.07972754

Names & identifiers

Preferred name: 4'-Fluoro(1,1'-biphenyl)-4-amine
IUPAC: 4-(4-fluorophenyl)aniline
English name: 4-Amino-4'-fluorobiphenyl
Molecular formula: C12H10FN
Molecular weight: 187.21

Names & synonyms

324-93-64-Amino-4'-fluorobiphenyl4-(4-Fluorophenyl)aniline4'-Fluoro-4-aminobiphenyl4-(p-Fluorophenyl)aniline4'-Fluoro-4-biphenylamine[1,1'-Biphenyl]-4-amine, 4'-fluoro-LL87GJV2VC(1,1'-Biphenyl)-4-amine, 4'-fluoro-4'-Fluoro(1,1'-biphenyl)-4-amineNSC-883414'-Fluoro[1,1'-biphenyl]-4-amine

Show more names

AKOS BAR-0148TIMTEC-BB SBB0102024-amino-4’-fluorbifenyl4’-fluoro-4-biphenylamin4’-fluoro-4-biphenylamine4’-fluoro-4-aminodiphenyl

RefChem:1069038206-306-24'-Fluoro-[1,1'-biphenyl]-4-amine4'-Fluoro-4-aminodiphenyl4'-Fluoro-biphenyl-4-ylamine4-BIPHENYLAMINE, 4'-FLUORO-4'-fluorobiphenyl-4-amine4-Amino-4'-fluorodiphenyl

Database identifiers

CAS: 324-93-6
PubChem CID: 9462
DTXSID: DTXSID7020631
ChEMBL: CHEMBL83147
UNII: LL87GJV2VC
EC Number: 206-306-2
Nikkaji: J36.109G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 167

Experimental & physicochemical properties

Collision Cross Section156.4 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7020631]

Physicochemical properties

Melting point: 119 · 119-121°C
Boiling point: 306.6 · 306.6±17.0 °C(Predicted)
Density: 1.1388 · 1.1388 (estimate)
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
solubility: Acetonitrile (Slightly), Chloroform (Slightly), Dichloromethane (Slightly)
pka: 3.99 · 3.99±0.10(Predicted)
form: Solid
color: Grey
CAS DataBase Reference: 324 · 324-93-6(CAS DataBase Reference)
FDA UNII: 87 GJV2VC · LL87GJV2VC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: T
Risk Statements: 23 · 23/24/25-33-41
Safety Statements: 24 · 24/25-36/37/39-39-26
Hazard Note: Toxic
HazardClass: IRRITANT
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.