CAS No.76-38-0,2,2-DICHLORO-1,1-DIFLUOROETHYL METHYL ETHER Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	76-38-0
Name:	2,2-DICHLORO-1,1-DIFLUOROETHYL METHYL ETHER

Formula:	C3H4 Cl2 F2 O
Molecular Weight:	164.967
Synonyms:	Ether,2,2-dichloro-1,1-difluoroethyl methyl (6CI,8CI);1,1-Dichloro-2,2-difluoro-2-methoxyethane;2,2-Dichloro-1,1-difluoro-1-methoxyethane;2,2-Dichloro-1,1-difluoroethyl methyl ether;Analgizer;Anecotan;DA 759;Inhalan;Methoflurane;Methoxane;Methoxyfluran;Methoxyflurane;Methyl1,1-difluoro-2,2-dichloroethyl ether;Metofane;Metoxfluran;Metoxifluran;NSC 110432;Penthrane;Pentran;Pentrane;
EINECS:	200-956-0
Density:	1.4262
Melting Point:	-36°C
Boiling Point:	103 °C
Flash Point:	63 C
Solubility:	negligible
Appearance:	colourless liquid
Hazard Symbols:	R10:Flammable.;
Risk Codes:	R10;
Safety:	Moderately toxic by ingestion. Mildly toxic by inhalation. Human systemic effects by inhalation: depressed renal function. An experimental teratogen. Human mutation data reported. An eye irritant. See also ETHERS. When heated to decomposition it emits very toxic fumes of Cl⁻ and F⁻.
PSA:	9.23000
LogP:	2.02930

Synthetic route

: 67-56-1
methanol

: 79-35-6
1,1'-dichloro-2,2'-difluoroethene

: 76-38-0
methoxyflurane

Conditions

Conditions	Yield
With potassium hydroxide

: 79-35-6
1,1'-dichloro-2,2'-difluoroethene

: 124-41-4
sodium methylate

: 76-38-0
methoxyflurane

Conditions

Conditions	Yield
unter Eiskuehlung;
unter Eiskuehlung;

: 76-38-0
methoxyflurane

A: 74-87-3
methylene chloride

B: 593-53-3
Methyl fluoride

C: 359-31-9
dichloroacetyl fluoride

D: 661-75-6
2,2,2-Trichloro-1,1-difluoroethyl methyl ether

Conditions

Conditions	Yield
Stage #1: methoxyflurane With potassium hydroxide Dehydrofluorination; Heating; Stage #2: With chlorine at -40℃; Chlorination; Stage #3: With antimonypentachloride at 40℃; for 0.833333h; Fluorination; Decomposition;	A n/a B n/a C n/a D 74%

...Expand

: 76-38-0
methoxyflurane

: 359-31-9
dichloroacetyl fluoride

Conditions

Conditions	Yield
With antimonypentachloride at 40℃; for 1.75h; Decomposition;	70%

: 76-38-0
methoxyflurane

: 37021-34-4
1,2,2,2-Tetrachloro-1-fluoroethyl methyl ether

Conditions

Conditions	Yield
Stage #1: methoxyflurane With potassium hydroxide Dehydrofluorination; Heating; Stage #2: With chlorine at -40℃; Chlorination;	42%

: 76-38-0
methoxyflurane

: 428-91-1
chloromethyl-(2,2-dichloro-1,1-difluoro-ethyl)-ether

Conditions

Conditions	Yield
With chlorine unter Belichtung;
With chlorine Irradiation;

: 76-38-0
methoxyflurane

: 32776-65-1
Chlormethyl-(2,2,2-trichlor-1,1-difluor-aethyl)-aether

Conditions

Conditions	Yield
With chlorine Irradiation;

: 76-38-0
methoxyflurane

: 25600-62-8
(2.2-Dichlor-1.1-difluor-aethyl)-dichlormethyl-aether

Conditions

Conditions	Yield
With chlorine Irradiation;

: 76-38-0
methoxyflurane

: 32776-66-2
(2,2-Dichlor-1,1,-difluor-ethyl)-trichlormethyl-ether

Conditions

Conditions	Yield
With chlorine Irradiation;

: 76-38-0
methoxyflurane

: 32776-67-3
Dichlormethyl-(2,2,2-trichlor-1,1-difluor-aethyl)-aether

Conditions

Conditions	Yield
With chlorine Irradiation;

Raw Materials

79-35-6

124-41-4

67-56-1

Downstream Products

593-53-3

74-87-3

359-31-9

661-75-6

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Consensus Reports

IARC Cancer Review: Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 93.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.

Standards and Recommendations

NIOSH REL: (Waste Anesthetic Gases and Vapors) CL 2 ppm/1H

Specification

Methoxyflurane, its cas register number is 76-38-0. It also can be called Penthrane; Pentrane; Anecotan. Methoxyflurane is an extremely potent and highly lipid soluble anesthetic agent. Methoxyflurane (also known as penthrane) is an inhaled analgesic used for emergency pain relief. It is metabolised by the liver and excreted by the lungs, and it works by depressing the patient's central nervous system. Methoxyflurane is the relatively new full-body inhalation anesthetic. In the known inhalation anesthetic, it has the strongest performance of general anesthesia and has a clear role in muscles' relaxation. It is generally now used for light anesthesia.

Physical properties about Methoxyflurane are: (1)ACD/LogP: 1.941; (2)ACD/LogD (pH 5.5): 1.94; (3)ACD/LogD (pH 7.4): 1.94; (4)ACD/BCF (pH 5.5): 17.58; (5)ACD/BCF (pH 7.4): 17.58; (6)ACD/KOC (pH 5.5): 270.84; (7)ACD/KOC (pH 7.4): 270.84; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.383 ; (11)Molar Refractivity: 27.643 cm³; (12)Molar Volume: 118.508 cm³; (13)Polarizability: 10.959 10-24cm³; (14)Surface Tension: 23.0100002288818 dyne/cm; (15)Density: 1.392 g/cm³; (16)Flash Point: 10.637 °C; (17)Enthalpy of Vaporization: 32.975 kJ/mol; (18)Boiling Point: 104.999 °C at 760 mmHg; (19)Vapour Pressure: 35.0060005187988 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3;
(2)InChIKey=RFKMCNOHBTXSMU-UHFFFAOYSA-N;
(3)SmilesCOC(F)(C(Cl)Cl)F

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TCLo	inhalation	3500ppm/1H (3500ppm)	KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED	Canadian Anaesthetists' Society Journal. Vol. 21, Pg. 294, 1974.
mammal (species unspecified)	LC50	inhalation	34gm/m3 (34000mg/m3)	BEHAVIORAL: ANTIPSYCHOTIC	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(4), Pg. 55, 1980.
mammal (species unspecified)	LD50	oral	3600mg/kg (3600mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(4), Pg. 55, 1980.
mouse	LC50	inhalation	21500mg/m3 (21500mg/m3)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 55, 1978.
mouse	LD50	intravenous	150mg/kg (150mg/kg)		United States Patent Document. Vol. #4168308,
rat	LC50	inhalation	33500mg/m3/4H (33500mg/m3)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 53, 1982.
rat	LD50	oral	3600mg/kg (3600mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 53, 1982.