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| CAS No.: | 93-67-4 |
|---|---|
| Name: | 5-Chloro-2-phenoxyaniline |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C12H10ClNO |
| Molecular Weight: | 219.671 |
| Synonyms: | Aniline,5-chloro-2-phenoxy- (6CI,7CI,8CI);1-Amino-5-chloro-2-phenoxybenzene;2-Amino-4-chlorodiphenyl ether;4-Chloro-2-aminodiphenyl ether;5-Chloro-2-phenoxyphenylamine;NSC 59759; |
| EINECS: | 202-266-5 |
| Density: | 1.26 g/cm3 |
| Melting Point: | 41-44 °C(lit.) |
| Boiling Point: | 324.9 °C at 760 mmHg |
| Flash Point: | 150.3 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 35.25000 |
| LogP: | 4.29570 |
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Specification
The Benzenamine,5-chloro-2-phenoxy-, with CAS registry number 93-67-4, belongs to the following product category: Biphenyl & Diphenyl ether. It has the systematic name of 5-chloro-2-phenoxyaniline. What's more, its EINECS is 202-266-5. The main use of this chemical is for dye intermediate. And this chemical can be prepared by Phenol, potassium salt and 2,5-dinitrochloridizebenzene.
Physical properties of Benzenamine,5-chloro-2-phenoxy-: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 203.12; (6)ACD/BCF (pH 7.4): 203.89; (7)ACD/KOC (pH 5.5): 1559.63; (8)ACD/KOC (pH 7.4): 1565.52; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 61.82 cm3; (15)Molar Volume: 174.2 cm3; (16)Polarizability: 24.51×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 150.3 °C; (20)Enthalpy of Vaporization: 56.7 kJ/mol; (21)Boiling Point: 324.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000239 mmHg at 25°C.
Preparation: this chemical can be prepared by (4-chloro-2-nitro-phenyl)-phenyl ether. This reaction will need reagents tin (II)-chloride, hydrogen chloride, diethyl ether.
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When you are using this chemical, please be cautious about it as the following:
The Benzenamine,5-chloro-2-phenoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c(Oc1ccccc1)cc2)N
(2)InChI: InChI=1/C12H10ClNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2
(3)InChIKey: SXEBHIMOUHBBOS-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H10ClNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2
(5)Std. InChIKey: SXEBHIMOUHBBOS-UHFFFAOYSA-N