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| CAS No.: | 37148-48-4 |
|---|---|
| Name: | 4-Amino-3,5-dichloroacetophenone |
| Molecular Structure: | |
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|
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| Formula: | C8H7Cl2NO |
| Molecular Weight: | 204.056 |
| Synonyms: | 1-(4-Amino-3,5-dichlorophenyl)ethanone;4-Acetyl-2,6-dichloroaniline;1-(4-Amino-3,5-dichlorphenyl)ethanon;4-Amino-3,5-dichloroacetophenone; |
| EINECS: | 253-368-1 |
| Density: | 1.386 g/cm3 |
| Melting Point: | 162-166 °C(lit.) |
| Boiling Point: | 351.5 °C at 760 mmHg |
| Flash Point: | 166.4 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 43.09000 |
| LogP: | 3.35940 |
- 3715-16-0L-Aspartic-15N acid
- 3715-29-5Butanoic acid,3-methyl-2-oxo-, sodium salt (1:1)
- 37153-52-9Benzenemethanol,4-amino-3-bromo-5-chloro-a-[[(1,1-dimethylethyl)amino]methyl]-
- 37154-85-19H-Purine,6-(methylthio)-9-(1-pyrrolidinyl)-
- 37155-50-32-[(4-methoxyphenyl)methyl]phenol
- 37156-84-6Phenol,4-[5-amino-6-(phenylmethyl)- pyrazinyl]-
- 37159-60-71,2,4-Thiadiazole,3-bromo-5-chloro-
- 371-62-0Ethanol,2-fluoro-
- 37167-59-2Propanedioic acid,2,2-dibromo-, 1,3-dimethyl ester
- 37167-62-7Benzeneacetic acid, a-bromo-, methyl ester
- 108-24-7
acetic anhydride
- 608-31-1
2,6-Dichloroaniline
- 37148-48-4
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In dichloromethane at 0 - 20℃; | 98.9% |
- 75-36-5
acetyl chloride
- 608-31-1
2,6-Dichloroaniline
- 37148-48-4
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
| Conditions | Yield |
|---|---|
| With iron(III) chloride In chloroform at 0 - 20℃; for 6h; | 88.6% |
- 99-92-3
4-Aminoacetophenone
A
- 6953-83-9
1-(4-amino-3-chlorophenyl)ethan-1-one
B
- 37148-48-4
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide In acetonitrile at 20℃; for 3.5h; | A 18% B 80% |
| With N-chloro-succinimide In acetonitrile at 20℃; for 4.5h; | A 45% B 20% |
- 99-92-3
4-Aminoacetophenone
- 37148-48-4
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
| Conditions | Yield |
|---|---|
| With chlorine; acetic acid |
- 7782-50-5
chlorine
- 99-92-3
4-Aminoacetophenone
- 64-19-7
acetic acid
A
- 37148-48-4
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
B
- 634-93-5
2,4,6-trichloroaniline
- 37148-48-4
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
- 120215-63-6
C8H8Cl2N2O
| Conditions | Yield |
|---|---|
| With hydroxylamine In tetrahydrofuran | 100% |
- 37148-48-4
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
- 37148-47-3
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
| Conditions | Yield |
|---|---|
| With bromine at 20℃; for 3h; | 95.2% |
| Stage #1: 1-(4-amino-3,5-dichlorophenyl)-1-ethanone With bromine In chloroform for 0.5h; Reflux; Inert atmosphere; Stage #2: With triethylamine; phosphonic acid diethyl ester In tetrahydrofuran at 0 - 20℃; for 0.166667h; Inert atmosphere; | 89% |
| Stage #1: 1-(4-amino-3,5-dichlorophenyl)-1-ethanone With bromine In tetrahydrofuran; chloroform for 0.416667h; Reflux; Stage #2: With diethyl phosphite; triethylamine In tetrahydrofuran at 20℃; for 0.166667h; | 89% |
- 37148-48-4
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
| Conditions | Yield |
|---|---|
| With hydrogen bromide; copper(I) bromide; sodium nitrite In water at 0 - 5℃; for 4.5h; | 90% |
- 37148-48-4
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
- 75-05-8
acetonitrile
| Conditions | Yield |
|---|---|
| With sodium hydroxide; copper dichloride at 120℃; for 24h; Schlenk technique; Inert atmosphere; | 84% |
| With sodium hydroxide; copper dichloride at 110℃; for 20h; Inert atmosphere; | 84% |
- 37148-48-4
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
- 35981-65-8
3’,4’,5’-Trichloroacetophenone
| Conditions | Yield |
|---|---|
| With tert.-butylnitrite In acetonitrile at 65℃; for 1h; Glovebox; Schlenk technique; Reflux; | 80% |
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Specification
The Ethanone,1-(4-amino-3,5-dichlorophenyl)-, with the CAS registry number 37148-48-4 and EINECS registry number 253-368-1, has the systematic name of 1-(4-amino-3,5-dichlorophenyl)ethanone. It is a kind of white to light yellow crystal powder, and belongs to the product categories: Aromatic Acetophenones & Derivatives (substituted); (Intermediate of leflunomide); Chemical Amines; Amines; Aromatics. And the molecular formula of the chemical is C8H7Cl2NO.
The characteristics of Ethanone,1-(4-amino-3,5-dichlorophenyl)- are as followings: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.2; (6)ACD/BCF (pH 7.4): 89.2; (7)ACD/KOC (pH 5.5): 866.33; (8)ACD/KOC (pH 7.4): 866.33; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 50.3 cm3; (15)Molar Volume: 147.1 cm3; (16)Polarizability: 19.94×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 166.4 °C; (20)Enthalpy of Vaporization: 59.62 kJ/mol; (21)Boiling Point: 351.5 °C at 760 mmHg; (22)Vapour Pressure: 4.1E-05 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1N)C(=O)C
(2)InChI: InChI=1/C8H7Cl2NO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3
(3)InChIKey: JLPKZJDZXIKSCP-UHFFFAOYAO