ChemicalBook--->CAS DataBase List--->3586-12-7

3586-12-7

3586-12-7 Structure

3586-12-7 Structure
IdentificationMore
[Name]

3-PHENOXYANILINE
[CAS]

3586-12-7
[Synonyms]

3-AMINODIPHENYL ETHER
3-AMINOPHENYL PHENYL ETHER
3-PHENOXYANILINE
M-PHENOXYANILINE
3-phenoxy-benzenamin
Aniline, m-phenoxy-
m-Aminophenyl phenyl ether
[EINECS(EC#)]

222-715-9
[Molecular Formula]

C12H11NO
[MDL Number]

MFCD00041891
[Molecular Weight]

185.22
[MOL File]

3586-12-7.mol
Chemical PropertiesBack Directory
[Melting point ]

41-44 °C (lit.)
[Boiling point ]

329-330 °C (lit.)
[density ]

1,158 g/cm3
[refractive index ]

1.1583
[Fp ]

>230 °F
[storage temp. ]

2-8°C, protect from light
[form ]

solid
[pka]

3.87±0.10(Predicted)
[Appearance]

Gray to brown Solid
[Water Solubility ]

Slightly soluble in water.
[InChI]

1S/C12H11NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2
[InChIKey]

UCSYVYFGMFODMY-UHFFFAOYSA-N
[SMILES]

Nc1cccc(Oc2ccccc2)c1
[CAS DataBase Reference]

3586-12-7(CAS DataBase Reference)
[Storage Precautions]

Store under inert gas
[EPA Substance Registry System]

Benzenamine, 3-phenoxy- (3586-12-7)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29222990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Potassium carbonate-->Dimethyl sulfoxide-->Phenol-->Stannous chloride dihydrate-->1-Fluoro-3-nitrobenzene-->1-nitro-3-phenoxybenzene-->3-Bromonitrobenzene-->3-Bromoaniline-->Iodobenzene-->1-Iodo-3-nitrobenzene-->3-Aminophenol-->3-Chloroaniline
[Preparation Products]

3-PHENOXYPHENOL-->3-Phenoxybromobenzene-->Diphenyl ether
Hazard InformationBack Directory
[Uses]

3-Phenoxyaniline is used as a reagent to synthesize nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway, these compounds are also potential anti-cancer agents. 3-Phenoxyaniline is also used as a reagent to synthesize inhibitors of the Dengue and West Nile virus proteases.
Spectrum DetailBack Directory
[Spectrum Detail]

3-PHENOXYANILINE(3586-12-7)1HNMR
3-PHENOXYANILINE(3586-12-7)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Phenoxyaniline, 98%(3586-12-7)
[Sigma Aldrich]

3586-12-7(sigmaaldrich)
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