CAS No.124728-93-4,2,3-DIFLUORO-1-PROPOXYBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	124728-93-4
Name:	2,3-DIFLUORO-1-PROPOXYBENZENE
Article Data:	4

Formula:	C₉H₁₀F₂O
Molecular Weight:	172.175
Synonyms:	1,2-Difluoro-3-propyloxybenzene;2,3-Difluoro-1-propyloxybenzene;2,3-Difluorophenyl propyl ether;3-Propoxy-1,2-difluorobenzene;
Density:	1.111 g/cm³
Boiling Point:	189.5 °C at 760 mmHg
Flash Point:	74.8 °C
Hazard Symbols:	Xi
PSA:	9.23000
LogP:	2.75360

Synthetic route

: 6418-38-8
2,3-difluorophenol

: 107-08-4
1-iodo-propane

: 124728-93-4
1,2-difluoro-3-n-propoxybenzene

Conditions

Conditions	Yield
With sodium carbonate In ethanol; water	92%

: 540-54-5
1-Chloropropane

: 6418-38-8
2,3-difluorophenol

: 124728-93-4
1,2-difluoro-3-n-propoxybenzene

Conditions

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

Conditions	Yield
With hydrogen; 5%-palladium/activated carbon In tetrahydrofuran at 20℃; for 1h;

...Expand

: 71-23-8
propan-1-ol

: 1489-53-8
1,2,3-trifluorobenzene

: 124728-93-4
1,2-difluoro-3-n-propoxybenzene

Conditions

Conditions	Yield
With calcium hydroxide at 100℃; for 20h;

: 121-43-7
Trimethyl borate

: 598-30-1
sec.-butyllithium

: 124728-93-4
1,2-difluoro-3-n-propoxybenzene

: 2,3-difluoro-4-propyloxyphenyl boric acid

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; hexane	62%

...Expand

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 124728-93-4
1,2-difluoro-3-n-propoxybenzene

: 4-Propoxy-2,3-difluorobenzaldehyde

Conditions

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

: 2-(2,3-difluoro-4-propoxy-phenyl)-5-(4-propyl-phenyl)-[1,3]dioxane

Conditions

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

: 5-(4-butyl-phenyl)-2-(2,3-difluoro-4-propoxy-phenyl)-[1,3]dioxane

Conditions

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

: 2-(2,3-difluoro-4-propoxy-phenyl)-5-(4-pentyl-phenyl)-[1,3]dioxane

Conditions

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

: 2-(2,3-difluoro-4-propoxy-phenyl)-5-(2-fluoro-4-pentyl-phenyl)-[1,3]dioxane

Conditions

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

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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