| Identification | More | [Name]
4-Amino-4'-chlorodiphenyl ether | [CAS]
101-79-1 | [Synonyms]
4-(4'-CHLOROPHENOXY)ANILINE
4-(4-CHLOROPHENOXY)ANILINE
4-(4-CHLOROPHENOXY)BENZENAMINE
4-AMINO-4'-CHLORODIPHENYL ETHER
P-(P-CHLOROPHENOXY)ANILINE
SALOR-INT L300845-1EA
4-(4-chlorophenoxy)-benzenamin
4’-chloro-4-aminobiphenylether
4-chloro-4’-aminodiphenylether
p-(p-chlorophenoxy)-anilin
4'-Chloro-4-Amino Diphenylether 4-(4-Chlorophenoxy) Aniline
4-AMINO-4'-CHLORODIPHENYL ETHER 98%
4-(4-Chlorophenoxy)benzamide
4-Chlorophenoxyaniline
4-(p-Chlorophenoxy)aniline | [EINECS(EC#)]
202-976-5 | [Molecular Formula]
C12H10ClNO | [MDL Number]
MFCD00043925 | [Molecular Weight]
219.67 | [MOL File]
101-79-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Dark powder | [Melting point ]
99-103 °C | [Boiling point ]
205 °C / 12mmHg | [density ]
1.1764 (rough estimate) | [refractive index ]
1.6000 (estimate) | [storage temp. ]
2-8°C | [solubility ]
DMSO (Slightly), Methanol (Slightly, Heated) | [form ]
powder to crystal | [pka]
4.60±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [Water Solubility ]
Insoluble in water. | [InChI]
1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2 | [InChIKey]
YTISFYMPVILQRL-UHFFFAOYSA-N | [SMILES]
Nc1ccc(Oc2ccc(Cl)cc2)cc1 | [CAS DataBase Reference]
101-79-1(CAS DataBase Reference) | [EPA Substance Registry System]
101-79-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
R43:May cause sensitization by skin contact.
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves . | [WGK Germany ]
3 | [RTECS ]
BX1770000 | [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
IRRITANT | [HS Code ]
29222990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Dark powder | [Uses]
It is used as an active pharmaceutical intermediate. | [Synthesis]
General procedure for the synthesis of 4'-chloro-4-amino-diphenyl ether from 4'-chloro-4-nitro-diphenyl ether: general method: 1-substituted-4-nitrobenzene (9.3 mmol) and hydrazine hydrate (27.9 mmol) were dissolved in 20 mL of ethanol, and stirred for 10 min at 28-30°C. The reaction was carried out in aqueous suspension of Raney-Ni (0.02 g). An aqueous suspension of Raney-Ni (0.02 g, 4.41 mL) was added in three 10-min intervals. after 30 min, the reaction was allowed to plateau, and the temperature was raised to 50-60 °C to continue stirring for 6 h. The catalyst was removed by filtration. After completion of the reaction, the catalyst was removed by filtration. The solvent was removed by evaporation to give the target product 4'-chloro-4-amino-diphenyl ether. | [References]
[1] Green Chemistry, 2017, vol. 19, # 14, p. 3400 - 3407
[2] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 7, p. 1588 - 1592
[3] Journal of Medicinal Chemistry, 2013, vol. 56, # 11, p. 4811 - 4815
[4] Pharmazie, 1980, vol. 35, # 2, p. 78 - 80
[5] Pharmazie, 1980, vol. 35, # 2, p. 78 - 80 |
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