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Cas Database |
| Name |
Benzene,1,2-difluoro-3-propoxy- |
EINECS | N/A |
| CAS No. | 124728-93-4 | Density | 1.111 g/cm3 |
| PSA | 9.23000 | LogP | 2.75360 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H10F2O | Boiling Point | 189.5 °C at 760 mmHg |
| Molecular Weight | 172.175 | Flash Point | 74.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1,2-Difluoro-3-propyloxybenzene;2,3-Difluoro-1-propyloxybenzene;2,3-Difluorophenyl propyl ether;3-Propoxy-1,2-difluorobenzene; |
Article Data | 4 |
Benzene,1,2-difluoro-3-propoxy- Synthetic route
| Conditions | Yield |
|---|---|
| With sodium carbonate In ethanol; water | 92% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; potassium hydroxide In water; N,N-dimethyl-formamide; toluene at 30℃; Reflux; Industrial scale; | 90.6% |
- 890840-88-7
1,2-difluoro-3-(prop-2-yn-1-yloxy)benzene
- 1029476-86-5
7,8-difluoro-2H-chromene
A
- 1029476-87-6
7,8-difluoro-3,4-dihydro-1-benzopyran
B
- 124728-93-4
1,2-difluoro-3-n-propoxybenzene
| Conditions | Yield |
|---|---|
| With hydrogen; 5%-palladium/activated carbon In tetrahydrofuran at 20℃; for 1h; |
| Conditions | Yield |
|---|---|
| With calcium hydroxide at 100℃; for 20h; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In tetrahydrofuran; hexane | 62% |
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 124728-93-4
1,2-difluoro-3-n-propoxybenzene
| Conditions | Yield |
|---|---|
| Stage #1: 1,2-difluoro-3-n-propoxybenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; hexane at -78 - 20℃; |
- 124728-93-4
1,2-difluoro-3-n-propoxybenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 1.2: hexane; tetrahydrofuran / -78 - 20 °C 2.1: p-toluenesulfonic acid / toluene / Heating View Scheme |
- 124728-93-4
1,2-difluoro-3-n-propoxybenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 1.2: hexane; tetrahydrofuran / -78 - 20 °C 2.1: p-toluenesulfonic acid / toluene / Heating View Scheme |
- 124728-93-4
1,2-difluoro-3-n-propoxybenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 1.2: hexane; tetrahydrofuran / -78 - 20 °C 2.1: p-toluenesulfonic acid / toluene / Heating View Scheme |
- 124728-93-4
1,2-difluoro-3-n-propoxybenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 1.2: hexane; tetrahydrofuran / -78 - 20 °C 2.1: p-toluenesulfonic acid / toluene / Heating View Scheme |
Benzene,1,2-difluoro-3-propoxy- Specification
The Benzene, 1, 2-difluoro-3-propoxy-, with the CAS registry number of 124728-93-4, is also known as 1-Propoxy-2, 3-difluorobenzene. This chemical's molecular formula is C9H10F2O and molecular weight is 172.17. What's more, its IUPAC name is 1, 2-Difluoro-3-propoxybenzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, this chemical must be kept in cold storage.
Physical properties about Benzene, 1, 2-difluoro-3-propoxy- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 161.97; (6)ACD/BCF (pH 7.4): 161.97; (7)ACD/KOC (pH 5.5): 1327.77; (8)ACD/KOC (pH 7.4): 1327.77; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 42.18 cm3; (15)Molar Volume: 154.8 cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 1.111 g/cm3; (18)Flash Point: 74.8 °C; (19)Enthalpy of Vaporization: 40.83 kJ/mol; (20)Boiling Point: 189.5 °C at 760 mmHg; (21)Vapour Pressure: 0.785 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc(OCCC)c1F
(2) InChI: InChI=1/C9H10F2O/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6H2,1H3
(3) InChIKey: NWZJQVBKARIQNT-UHFFFAOYAH
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