4-(4-Methoxyphenoxy)aniline

HCID 101402

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Basic information

CAS: 31465-36-8
Standard SMILES: COc1ccc(Oc2ccc(N)cc2)cc1
InChIKey: VTYZDTAGEMAJMM-UHFFFAOYSA-N
Molecular formula: C13H13NO2
Average molar mass: 215.25 g/mol
Monoisotopic mass: 215.09462866

Names & identifiers

Preferred name: 4-(4-Methoxyphenoxy)aniline
IUPAC: 4-(4-methoxyphenoxy)aniline
English name: 4-(4-Methoxyphenoxy)aniline
Molecular formula: C13H13NO2
Molecular weight: 215.25

Names & synonyms

4-(4-Methoxyphenoxy)aniline31465-36-84-(4-Methoxyphenoxy)benzenamineBenzenamine, 4-(4-methoxyphenoxy)-4QQ7X85Y65EINECS 250-644-3NSC-509660DTXSID70185373P-(P-METHOXYPHENOXY)ANILINENSC 509660RefChem:97249DTXCID80107864

Show more names

AKOS 91179AKOS B021930ART-CHEM-BB B021930CHEMBRDG-BB 4008768SALOR-INT L300853-1EA4-(4-Methoxyphenoxy)aniline 98+%4-(4-methoxyphenoxy)aniline(SALTDATA: FREE)

250-644-3MFCD000441054-(4-methoxyphenoxy)phenylamineNSC509660CBMicro_006595Cambridge id 5137836Oprea1_831080SCHEMBL177916

Database identifiers

CAS: 31465-36-8
PubChem CID: 101402
DTXSID: DTXSID70185373
UNII: 4QQ7X85Y65
EC Number: 250-644-3
Nikkaji: J278.124G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 194

Physicochemical properties

Melting point: 79 °C · 79 °C
Boiling point: 359.6 · 359.6±27.0 °C(Predicted)
Density: 1.155 · 1.155±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder
pka: 4.93 · 4.93±0.10(Predicted)
color: Charcoal
FDA UNII: 4 QQ7X85Y65 · 4QQ7X85Y65
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P233, P260, P264, P270, P271, P284, P301+P317, P304+P340, P330, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.