Benzenamine, 4-(4-fluorophenoxy)-

HCID 147633

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Basic information

CAS: 36160-82-4
Standard SMILES: Nc1ccc(Oc2ccc(F)cc2)cc1
InChIKey: SMWBBLSINLFYAB-UHFFFAOYSA-N
Molecular formula: C12H10FNO
Average molar mass: 203.21 g/mol
Monoisotopic mass: 203.07464216

Names & identifiers

Preferred name: Benzenamine, 4-(4-fluorophenoxy)-
IUPAC: 4-(4-fluorophenoxy)aniline
English name: 4-(4-FLUOROPHENOXY)ANILINE
Molecular formula: C12H10FNO
Molecular weight: 203.21

Names & synonyms

4-(4-fluorophenoxy)aniline36160-82-4Benzenamine, 4-(4-fluorophenoxy)-4-(4-Fluorophenoxy)benzenamineDTXSID00189728RefChem:561855DTXCID60112219627-677-04-Amino-4'-fluorodiphenyl etherMFCD013123504-(4-fluorophenoxy)phenylamine4-(4-Fluoro-phenoxy)-phenylamine

Show more names

SALOR-INT L300837-1EA4-(4-Fluorophenoxy)aniline 97%4-(4-fluorophenoxy)benzeneamine

4-(4'-fluorophenoxy)anilineSCHEMBL364585SCHEMBL27782489TIMTEC-BB SBB009577AKOS B021931SMWBBLSINLFYAB-UHFFFAOYSA-NART-CHEM-BB B0219314-(4-Fluorophenoxy)aniline, 97%

Database identifiers

CAS: 36160-82-4
PubChem CID: 147633
DTXSID: DTXSID00189728
EC Number: 627-677-0

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 58.9 · 58.9-60.4
Boiling point: 317.2 · 317.2±27.0 °C(Predicted)
Density: 1.22 · 1.220±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.71 · 4.71±0.10(Predicted)
form: crystalline powder
color: Beige
InChI: InChI=1S/C12H10FNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey: SMWBBLSINLFYAB-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OC2=CC=C(F)C=C2)C=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 36 · 36/37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2922290090 · 2922290090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.