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Cas Database |
| Name |
4-Chloro-2-methoxyaniline |
EINECS | 202-251-3 |
| CAS No. | 93-50-5 | Density | 1.234 g/cm3 |
| PSA | 35.25000 | LogP | 2.51200 |
| Solubility | N/A | Melting Point |
52°C |
| Formula | C7H8ClNO | Boiling Point | 260 °C at 760 mmHg |
| Molecular Weight | 157.6 | Flash Point | 108.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36/37 | Risk Codes | 43 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
o-Anisidine,4-chloro- (7CI,8CI);(4-Chloro-2-methoxyphenyl)amine;1-Amino-4-chloro-2-methoxybenzene;2-Amino-5-chloroanisole;2-Methoxy-4-chloroaniline;4-Chloro-2-anisidine;4-Chloro-2-methoxyaniline;4-Chloro-2-methoxybenzenamine;4-Chloro-o-anisidine;5-Chloro-2-aminoanisole;p-Chloro-o-anisidine;4-chloro-2-methoxyphenylamine; |
Article Data | 30 |
4-Chloro-2-methoxyaniline Synthetic route
| Conditions | Yield |
|---|---|
| With ammonium formate; platinum on activated charcoal In methanol | 97% |
| With iron; acetic acid In methanol at 50℃; Inert atmosphere; | 94% |
| Stage #1: With iron; ammonium chloride In water for 0.25h; Heating / reflux; Stage #2: 1-chloro-3-methoxy-4-nitrobenzene In water Heating / reflux; Stage #3: With hydrogenchloride; sodium hydroxide; sodium hydrogencarbonate Product distribution / selectivity; more than 3 stages; | 91% |
- 135055-92-4
Ethyl 4-chloro-2-methoxycarbanilate
- 93-50-5
4-chloro-o-anisidine
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethylene glycol at 160℃; for 1.5h; | 94% |
| Conditions | Yield |
|---|---|
| With copper dichloride; 1-hexyl-3-methylimidazol-1-ium chloride at 40℃; for 3h; regioselective reaction; | 93% |
| With copper(II) choride dihydrate; lithium chloride hydrate In ethanol for 7h; Reflux; regioselective reaction; | 76% |
- 93-50-5
4-chloro-o-anisidine
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In dichloromethane at 0 - 20℃; for 2h; | 85% |
- 1092349-89-7
4-chloro-1-fluoro-2-methoxybenzene
- 93-50-5
4-chloro-o-anisidine
| Conditions | Yield |
|---|---|
| With 3,6‐di‐tert‐butyl‐9‐(2,6‐dimethylphenyl)‐10‐(4‐(trifluoromethyl)phenyl)acridin‐10‐iumtetrafluoroborate; ammonium carbamate In 2,2,2-trifluoroethanol; 1,2-dichloro-ethane at 45 - 50℃; for 18h; Irradiation; Inert atmosphere; Sealed tube; | 57% |
| Conditions | Yield |
|---|---|
| With fac-tris(2-phenylpyridinato-N,C2')iridium(III); methanesulfonic acid; triphenylphosphine In acetonitrile at 55℃; for 24h; Irradiation; Inert atmosphere; | 28% |
- 56-23-5
tetrachloromethane
- 24251-12-5
tertiary amyl hypochlorite
- 5877-56-5
N-benzylidene-2-methoxy-aniline
- 93-50-5
4-chloro-o-anisidine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin(ll) chloride durch elektrochemische Reduktion; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin |
- 854910-68-2
N,N'-bis-(4-chloro-2-methoxy-phenyl)-urea
- 93-50-5
4-chloro-o-anisidine
| Conditions | Yield |
|---|---|
| With ammonium hydroxide at 150℃; | |
| With sodium hydroxide at 175℃; |
4-Chloro-2-methoxyaniline Specification
The Benzenamine,4-chloro-2-methoxy-, with the CAS registry number 93-50-5 and EINECS registry number 202-251-3, has the systematic name and IUPAC name of 4-chloro-2-methoxy-aniline. It belongs to the product categories of Amines and Blocks. And the molecular formula of the chemical is C7H8ClNO. What's more, it should be stored in the dry and cool environment.
The characteristics of Benzenamine,4-chloro-2-methoxy- are as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.14 ; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 35.25 Å2; (9)Index of Refraction: 1.572; (10)Molar Refractivity: 42.06 cm3; (11)Molar Volume: 127.6 cm3; (12)Polarizability: 16.67×10-24cm3; (13)Surface Tension: 42.3 dyne/cm; (14)Density: 1.234 g/cm3; (15)Flash Point: 108.9 °C; (16)Enthalpy of Vaporization: 49.77 kJ/mol; (17)Boiling Point: 260 °C at 760 mmHg; (18)Vapour Pressure: 0.0125 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Nc1ccc(Cl)cc1OC
(2)InChI: InChI=1/C7H8ClNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
(3)InChIKey: WOXLPNAOCCIZGP-UHFFFAOYAL
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