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| CAS No.: | 3946-29-0 |
|---|---|
| Name: | 3,4'-Dichloropropiophenone |
| Article Data: | 19 |
| Molecular Structure: | |
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|
|
| Formula: | C9H8 Cl2 O |
| Molecular Weight: | 203.068 |
| Synonyms: | Propiophenone,3,4'-dichloro- (7CI,8CI); 2-(4-Chlorobenzoyl)ethyl chloride; 2-Chloroethyl4-chlorophenyl ketone; 2-Chloroethyl p-chlorophenyl ketone;3,4'-Dichloropropiophenone; 3-Chloro-1-(4-chlorophenyl)-1-propanone; NSC 36074;p,b-Dichloropropiophenone; p-Chloro-b-chloropropiophenone; b,p-Dichloropropiophenone; b-Chloro-p-chloropropiophenone |
| EINECS: | 223-537-4 |
| Density: | 1.262g/cm3 |
| Melting Point: | 47-53 ºC |
| Boiling Point: | 135-137 ºC (0.6 mmHg)，344.6 °C at 760 mmHg |
| Flash Point: | 81 ºC |
| Appearance: | yellow to brown crystals or crystalline powder |
| Hazard Symbols: |
|
| Risk Codes: | R36/37/38 |
| Safety: | 23-26-27-36/37/39-45 |
| Transport Information: | UN 3261 |
| PSA: | 17.07000 |
| LogP: | 3.15160 |
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| Conditions | Yield |
|---|---|
| With aluminium trichloride In carbon disulfide for 3h; | 89% |
| With aluminum (III) chloride Friedel Crafts acylation; | 87% |
| With carbon disulfide; aluminium trichloride |
| Conditions | Yield |
|---|---|
| With zinc(II) chloride In dichloromethane at 0 - 10℃; for 2h; |
- 3946-29-0
3,4'-Dichloropropiophenone
- 25574-18-9
3-chloro-1-(4-chlorophenyl)propan-1-ol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In tetrahydrofuran at 20℃; for 2h; | 99% |
| With sodium tetrahydroborate In tetrahydrofuran; water at 20℃; for 2h; | 35% |
| With lithium aluminium tetrahydride In diethyl ether |
- 110-91-8
morpholine
- 3946-29-0
3,4'-Dichloropropiophenone
- 30412-07-8
1-(4-chlorophenyl)-3-(morpholin-1-yl)propane-1-one hydrochloride
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 16h; | 99% |
| 99% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 16h; | 98% |
- 109-01-3
1-methyl-piperazine
- 3946-29-0
3,4'-Dichloropropiophenone
- 60868-02-2
1-(4-chloro-phenyl)-3-(4-methyl-piperazin-1-yl)-propan-1-one
| Conditions | Yield |
|---|---|
| 98% |
- 917-64-6
methyl magnesium iodide
- 3946-29-0
3,4'-Dichloropropiophenone
- 113696-77-8
3-(4-Chlorophenyl)-3-hydroxy-3-methyl-1-chloropropane
| Conditions | Yield |
|---|---|
| In benzene for 1h; | 95% |
- 627-37-2
N-methyl-N-allylamine
- 3946-29-0
3,4'-Dichloropropiophenone
- 1236376-76-3
3-(allylmethylamino)-1-(4-chlorophenyl)propan-1-one
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran at 20℃; for 18h; | 94% |
- 3946-29-0
3,4'-Dichloropropiophenone
| Conditions | Yield |
|---|---|
| Stage #1: 3,4'-Dichloropropiophenone With (S)-2,2',6,6'-tetramethoxy-4,4'-bis(diphenylphosphino)-3,3'-bipyridine; phenylsilane; copper(II) acetate monohydrate In toluene at -20 - 20℃; for 48h; Stage #2: With hydrogenchloride In water; toluene Reagent/catalyst; enantioselective reaction; | 93% |
- 3946-29-0
3,4'-Dichloropropiophenone
- 122-52-1
triethyl phosphite
- 16324-11-1
[3-(4-Chloro-phenyl)-3-oxo-propyl]-phosphonic acid diethyl ester
| Conditions | Yield |
|---|---|
| for 2h; Heating; | 92% |
| at 85℃; Rate constant; Thermodynamic data; Kinetics; Ea, ΔH(excit.), ΔS(excit.), ΔG(excit.); other substituted 3-chloropropiophenones; other solvents; | |
| at 85 - 100℃; Rate constant; Thermodynamic data; Ea, ΔH, ΔS, ΔG; |
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Chemistry
IUPAC Name: 3-Chloro-1-(4-chlorophenyl)propan-1-one
Systematic of 1-Propanone,3-chloro-1-(4-chlorophenyl)- (CAS NO.3946-29-0): EINECS 223-537-4 ; 3,4'-Dichloropropiophenone
CAS NO: 3946-29-0
Molecular Formula of 1-Propanone,3-chloro-1-(4-chlorophenyl)- (CAS NO.3946-29-0): C9H8Cl2O
Molecular Weight: 203.0652
Molecular Structure:
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Melting Point: 48-51 °C
H bond acceptors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.542
Molar Refractivity: 50.65 cm3
Molar Volume: 160.8 cm3
Surface Tension: 40.8 dyne/cm
Density of 1-Propanone,3-chloro-1-(4-chlorophenyl)- (CAS NO.3946-29-0): 1.262 g/cm3
Flash Point: 131.9 °C
Enthalpy of Vaporization: 58.85 kJ/mol
Boiling Point: 344.6 °C at 760 mmHg
Vapour Pressure: 6.53E-05 mmHg at 25°C
Safety Profile
Hazard Codes: 
C,
Xi
Risk Statements: 34-36/37/38
R34: Causes burns.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 23-26-27-36/37/39-45
S23: Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27: Take off immediately all contaminated clothing.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: III