Basic information
- CAS
58109-34-5- Standard SMILES
FCOC(=C(F)F)C(F)(F)F- InChIKey
VMCHRPIQINOPJR-UHFFFAOYSA-N- Molecular formula
- C4H2F6O
- Average molar mass
- 180.05 g/mol
- Monoisotopic mass
- 180.000984
Overview
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound A) is an organofluorine compound.
Names & identifiers
- Preferred name
- 1,1,3,3,3-Pentafluoro-2-(fluoromethoxy)-1-propene
- IUPAC
- 1,1,3,3,3-pentafluoro-2-(fluoromethoxy)prop-1-ene
- English name
- SEVOFLURANE RELATED COMPOUND A (0.2 ML) (1,1,3,3,3-PENTAFLUOROISOPROPENYL FLUOROMETHYL ETHER)
- Molecular formula
- C4H2F6O
- Molecular weight
- 180.05
Names & synonyms
58109-34-5Fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether1,1,3,3,3-pentafluoro-2-(fluoromethoxy)-1-propene2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propeneD4ONY53P0Npentafluoroisopropenyl fluoromethyl etherDTXSID109736901-Propene, 1,1,3,3,3-pentafluoro-2-(fluoromethoxy)-FDTVE1,1,1,3,3-pentafluoroisopropenyl fluoromethyl etherFDVE-2,2Compound A (fluoroether)
Show more names
Sevoflurane Impurity ASevoflurane EP ImpurityHeptafluoroalkane impurity ASevoflurane Related CoMpound A2-(fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propen1,1,3,3,3-Pentafluoroisopropenylfluoromethylether
RefChem:599430DTXCID2014011381,1,3,3,3-pentafluoro-2-(fluoromethoxy)prop-1-eneSevoflurane EP Impurity AFluoromethyl pentafluoroprop-1-en-2-yl ether1-Propene, 1,1,3,3,3-pentafluoro-2-(fluoromethoxy)-; 1,1,3,3,3-Pentafluoro-2-(fluoromethoxy)-1-propene; 2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene; Compound A; Fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl etherUNII-D4ONY53P0NSCHEMBL2537811
Database identifiers
- CAS
58109-34-5- PubChem CID
- 105015
- DTXSID
DTXSID10973690- ChEBI
CHEBI:190039- UNII
- D4ONY53P0N
- EC Number
- 818-872-3
- Nikkaji
- J733.327G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
PFASPFAS
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C4H2F6O/c5-1-11-2(3(6)7)4(8,9)10/h1H2
- InChIKey
- VMCHRPIQINOPJR-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(=C(F)F)OCF
- FDA UNII
- 4 ONY53P0N · D4ONY53P0N
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- RIDADR
- 2810 · UN 2810 6.1 / PGIII
- WGK Germany
- 3 · WGK 3
- RTECS
- 9900000 · UC9900000
- HS Code
- 2909191800 · 2909191800
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- WGK 3
- rtecs
- UC9900000
- ridadr
- UN 2810 6.1 / PGIII
- hs_code
- 2909191800
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H226-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Gases or volatile liquids that vary in the rate at which they induce anesthesia; potency; the degree of circulation, respiratory, or neuromuscular depression they produce; and analgesic effects. Inhalation anesthetics have advantages over intravenous agents in that the depth of anesthesia can be changed rapidly by altering the inhaled concentration. Because of their rapid elimination, any postoperative respiratory depression is of relatively short duration. (From AMA Drug Evaluations Annual, 1994, p173)
Applications
Uses1,1,3,3,3-Pentafluoro-2-(fluoromethoxy)-1-propene is an impurity of Sevoflurane (H291050), and acts as an anaesthetic.
Suppliers12 total
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Additional notes
DefinitionChEBI: 2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound A) is an organofluorine compound.
Related reactions
2 records
Compound notes
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