CAS No.28523-86-6,Sevoflurane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28523-86-6
Name:	Sevoflurane
Article Data:	29

Formula:	C₄H₃F₇O
Molecular Weight:	200.056
Synonyms:	Ether,fluoromethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl (8CI);347mmzEbg;Fluoromethyl1,1,1,3,3,3-hexafluoroisopropyl ether;Fluoromethyl2,2,2-trifluoro-1-(trifluoromethyl)ethyl ether;MR 6S4;R-E 347;Sevocris;Sevoflo;Sevofluran;Sevorane;Ultane;
EINECS:	-0
Density:	1.505 g/cm³
Melting Point:	58 °C
Boiling Point:	49.5 °C at 760 mmHg
Flash Point:	58 °C
Solubility:	insoluble in water
Appearance:	colorless liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	9.23000
LogP:	2.42320

Synthetic route

: 26103-07-1
1,1,1,3,3,3-hexafluoroisopropyl chloromethyl ether

: 28523-86-6
sevoflurane

Conditions

Conditions	Yield
With diisopropylethylamine hydrofluoride for 16h; Heating;	95%
With potassium fluoride; potassium hydrogenfluoride; water; Aliquat HTA-1 at 100℃; for 3h; Product distribution / selectivity;	90%
With potassium fluoride; tetraethylammonium chloride In water at 100℃; for 3h; Product distribution / selectivity;	86%

: 26103-07-1
1,1,1,3,3,3-hexafluoroisopropyl chloromethyl ether

A: 920-66-1
1,1,1,3',3',3'-hexafluoro-propanol

B: 28523-86-6
sevoflurane

Conditions

Conditions	Yield
With hydrogenchloride; potassium fluoride; water; Aliquat HTA-1 at 100℃; for 3h; Product distribution / selectivity;	A 1.05 %Chromat. B 93%
With potassium fluoride; potassium hydrogenfluoride; water; Aliquat 175 at 100℃; for 3h; Product distribution / selectivity;	A 3.8 %Chromat. B 89%
With potassium fluoride; potassium hydrogenfluoride; water; benzyl triethyl ammonium dichloride at 100℃; for 3h; Product distribution / selectivity;	A 4 %Chromat. B 88%

: 373-53-5
fluoroiodomethane

: 920-66-1
1,1,1,3',3',3'-hexafluoro-propanol

: 28523-86-6
sevoflurane

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 60℃; for 8h; Product distribution / selectivity; Inert atmosphere; Sealed vesselaturated gas;	91.43%
With triethylamine; potassium hydroxide In acetonitrile at 60℃; for 8h; Product distribution / selectivity; Inert atmosphere;	91.43%

: 110-88-3
1,3,5-Trioxan

: 920-66-1
1,1,1,3',3',3'-hexafluoro-propanol

: 28523-86-6
sevoflurane

Conditions

Conditions	Yield
boron trifluoride diethyl etherate for 5h; Product distribution / selectivity; Heating / reflux;	84%
aluminum(III) fluoride In chloroform for 5h; Product distribution / selectivity; Heating / reflux;	72%
With hydrogen fluoride at -30 - 67℃; under 2257.73 - 3862.89 Torr; Pressure; Temperature;

: S-monofluoromethyl-S-phenyl-2,3,4,5-tetramethylphenylsulphonium tetrafluoroborate

: 920-66-1
1,1,1,3',3',3'-hexafluoro-propanol

: 28523-86-6
sevoflurane

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 20℃;	83%

: 373-52-4
bromofluoromethane

: 920-66-1
1,1,1,3',3',3'-hexafluoro-propanol

: 28523-86-6
sevoflurane

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 60℃; for 8h; Product distribution / selectivity; Inert atmosphere; Sealed vessel;	81.8%
With triethylamine; potassium hydroxide In acetonitrile at 60℃; for 8h; Product distribution / selectivity; Inert atmosphere;	81.8%

: 593-70-4
R32

: 920-66-1
1,1,1,3',3',3'-hexafluoro-propanol

: 28523-86-6
sevoflurane

Conditions

Conditions	Yield
With sodium carbonate In 1-methyl-pyrrolidin-2-one; water at 50℃; for 6h; Product distribution / selectivity; Sealed vessel;	71.57%
With 1-methyl-pyrrolidin-2-one; sodium carbonate In water at 50℃; for 6h;	71.57%

: 97614-43-2
1,3,5-tri-O-benzoyl-2-deoxy-2-fluoro-α-D-arabinofuranose

: 28523-86-6
sevoflurane

Conditions

Conditions	Yield
With potassium fluoride In various solvent(s) at 95℃; for 1h; Substitution;	71%

: 194039-83-3
bis {[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]methyl} ether

: 28523-86-6
sevoflurane

Conditions

Conditions	Yield
With hydrogen fluoride at -30 - 70℃; for 1.5h;	53%

: 1152045-94-7
methyl 3,3,3-trifluoro-2-trifluoromethyl-2-chloromethoxypropionate

: 28523-86-6
sevoflurane

Conditions

Conditions	Yield
With potassium fluoride In polyethyleneglycol at 90 - 95℃; for 5h; Product distribution / selectivity; Autoclave;	51.7%

Raw Materials

373-53-5

406-58-6

920-66-1

462-51-1

542-88-1

373-52-4

110-88-3

26103-07-1

Downstream Products

13171-18-1

26103-07-1

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History

First reports of sevoflurane appeared in the literature in 1971. The agent was developed by scientists at Baxter Laboratories. It was introduced into clinical practice initially in Japan in 1990. The rights for sevoflurane in the US and other countries are held by Abbott Laboratories.

Consensus Reports

Sevoflurane is reported in EPA TSCA Inventory. Glycol ether compounds are on the Community Right-To-Know List.The U.S. Environmental Protection Agency(EPA) has classified sevoflurane as a greenhouse gas, with a global warming potential of 345. One tonne of sevoflurane emitted is equivalent to 345 tonnes of carbon dioxide in the atmosphere.

Specification

The Sevoflurane with CAS registry number of 28523-86-6 is also known as Ether,fluoromethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl (8CI). The IUPAC name is 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane. It belongs to product categories of Fluoro Series. In addition, the formula is C₄H₃F₇O and the molecular weight is 200.05. This chemical is a colorless liquid and should be stored in refrigerated place away from oxidizing agents. It is used as inhalation anesthetic.

Physical properties about Sevoflurane are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): 2.48; (3)ACD/LogD (pH 7.4): 2.48; (4)ACD/BCF (pH 5.5): 45.27; (5)ACD/BCF (pH 7.4): 45.27; (6)ACD/KOC (pH 5.5): 533.13; (7)ACD/KOC (pH 7.4): 533.13; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.266; (11)Molar Refractivity: 23.36 cm³; (12)Molar Volume: 139.5 cm³; (13)Surface Tension: 13 dyne/cm; (14)Density: 1.433 g/cm³; (15)Enthalpy of Vaporization: 28.08 kJ/mol; (16)Boiling Point: 49.5 °C at 760 mmHg; (17)Vapour Pressure: 311 mmHg at 25 °C.

Preparation of Sevoflurane: it is prepared by reaction of hexafluoroacetone with catalyst Pd-carbon. After hexafluoro isopropanol is obtained, add formaldehyde, hydrogen fluoride and sulfuric acid to the reaction product to generate product.

Sevoflurane is prepared by reaction of hexafluoroacetone with catalyst Pd-carbon.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(OC(C(F)(F)F)C(F)(F)F)F
2. InChI: InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
3. InChIKey: DFEYYRMXOJXZRJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	28300ppm/3H (28300ppm)	BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: CYANOSIS SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Kiso to Rinsho. Clinical Report. Vol. 21, Pg. 5497, 1987.
mouse	LD50	intraperitoneal	10500mg/kg (10500mg/kg)		Drugs in Japan Vol. -, Pg. 591, 1990.
mouse	LD50	oral	18200mg/kg (18200mg/kg)		Drugs in Japan Vol. -, Pg. 591, 1990.
rat	LC50	inhalation	28800ppm/3H (28800ppm)	BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: CYANOSIS SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Kiso to Rinsho. Clinical Report. Vol. 21, Pg. 5497, 1987.
rat	LD50	intraperitoneal	6300mg/kg (6300mg/kg)		Drugs in Japan Vol. -, Pg. 591, 1990.
rat	LD50	oral	10800mg/kg (10800mg/kg)		Drugs in Japan Vol. -, Pg. 591, 1990.