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Cas Database |
| Name |
4-Chloro-3',4'-dimethoxybenzophenone |
EINECS | N/A | ||||||
| CAS No. | 116412-83-0 | Density | 1.216g/cm3 | ||||||
| PSA | 35.53000 | LogP | 3.58820 | ||||||
| Solubility | N/A | Melting Point |
111-112 °C(Solv: ethanol (64-17-5)) |
||||||
| Formula | C15H13 Cl O3 | Boiling Point | 414.5°Cat760mmHg | ||||||
| Molecular Weight | 276.719 | Flash Point | 167.2°C | ||||||
| Transport Information | N/A | Appearance | N/A | ||||||
| Safety |
|
Risk Codes | 50/53 | ||||||
| Molecular Structure |
|
Hazard Symbols |
|
||||||
| Synonyms |
3,4-Dimethoxy-4'-chloro-benzophenone |
Article Data | 12 |
4-Chloro-3',4'-dimethoxybenzophenone Synthetic route
- 91-16-7
1,2-dimethoxybenzene
- 122-01-0
4-chloro-benzoyl chloride
B
- 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone
| Conditions | Yield |
|---|---|
| A n/a B 93% |
- 91-16-7
1,2-dimethoxybenzene
- 74-11-3
para-chlorobenzoic acid
- 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate at 80 - 90℃; for 0.05h; Microwave irradiation; chemoselective reaction; | 89% |
- 120-14-9
3,4-dimethoxy-benzaldehyde
- 873-77-8
(4-chlorphenyl)magnesium bromide
- 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone
| Conditions | Yield |
|---|---|
| Stage #1: 3,4-dimethoxy-benzaldehyde; (4-chlorphenyl)magnesium bromide In tetrahydrofuran Stage #2: With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene In dichloromethane | 86% |
- 91-16-7
1,2-dimethoxybenzene
- 122-01-0
4-chloro-benzoyl chloride
- 79-34-5
1,1,2,2-tetrachloroethane
- 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone
| Conditions | Yield |
|---|---|
| With FeCl3; graphite | 84.3% |
| With FeCl3; graphite | 84.3% |
| graphite | 81.3% |
- 91-16-7
1,2-dimethoxybenzene
- 5216-25-1
4-chlorotrichloromethylbenzene
- 79-34-5
1,1,2,2-tetrachloroethane
- 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone
| Conditions | Yield |
|---|---|
| graphite In water | 79.5% |
- 91-16-7
1,2-dimethoxybenzene
- 122-01-0
4-chloro-benzoyl chloride
- 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone
| Conditions | Yield |
|---|---|
| With Cl4Fe(1-)*C9H7N3O2*H(1+) In neat (no solvent) at 100℃; for 3h; Friedel-Crafts Acylation; Inert atmosphere; | 70% |
| With aluminium trichloride In dichloromethane for 0.5h; Friedel-Crafts reaction; | 53% |
| With aluminium trichloride In benzene at 55 - 60℃; for 2.5h; Friedel-Crafts reaction; |
- 74-11-3
para-chlorobenzoic acid
- 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C / Reflux 2: aluminum (III) chloride / dichloromethane / 2 h / 0 °C / Reflux View Scheme |
- 120-80-9
benzene-1,2-diol
- 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: sodium hydroxide / water / 1.33 h / 10 - 15 °C / Inert atmosphere; Large scale 1.2: 4.7 h / 20 - 50 °C / Inert atmosphere; Large scale 2.1: iron(III) chloride / hexane / 2.8 h / 120 °C / Inert atmosphere; Large scale View Scheme |
- 91-16-7
1,2-dimethoxybenzene
- 99-91-2
para-chloroacetophenone
- 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone
| Conditions | Yield |
|---|---|
| With iron(III) chloride In hexane at 120℃; for 2.8h; Temperature; Inert atmosphere; Large scale; |
- 1779-49-3
Methyltriphenylphosphonium bromide
- 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone
| Conditions | Yield |
|---|---|
| With sodium hydride | 89% |
4-Chloro-3',4'-dimethoxybenzophenone Chemical Properties
Molecular structure of 4-Chloro-3',4'-dimethoxybenzophenone (CAS NO.116412-83-0) is:
Product Name: 4-Chloro-3',4'-dimethoxybenzophenone
CAS Registry Number: 116412-83-0
Molecular Formula: C15H13ClO3
Molecular Weight: 276.71
Index of Refraction: 1.566
Molar Refractivity: 74.29 cm3
Molar Volume: 227.5 cm3
Surface Tension: 41.1 dyne/cm
Density: 1.216 g/cm3
Flash Point: 167.2 °C
Enthalpy of Vaporization: 66.74 kJ/mol
Boiling Point: 414.5 °C at 760 mmHg
Vapour Pressure: 4.44E-07 mmHg at 25 °C
EINECS: 404-610-1
Product Categories: Naphthyridine,Quinoline
SMILES: O=C(c1ccc(Cl)cc1)c2ccc(OC)c(OC)c2
InChI: InChI=1/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
InChIKey: MLLIIHAKTPXMFF-UHFFFAOYAN
Std. InChI: InChI=1S/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
Std. InChIKey: MLLIIHAKTPXMFF-UHFFFAOYSA-N
4-Chloro-3',4'-dimethoxybenzophenone Safety Profile
Safty information about 4-Chloro-3',4'-dimethoxybenzophenone (CAS NO.116412-83-0) is:
Hazard Codes: 
N
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
4-Chloro-3',4'-dimethoxybenzophenone Specification
4-Chloro-3',4'-dimethoxybenzophenone , its cas register number is 116412-83-0. It also can be called Methanone,(4-chlorophenyl)(3,4-dimethoxyphenyl)- .
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