Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate

HCID 522203
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
663-35-4
Standard SMILES
CCOC(=O)CC(=O)C(F)(F)C(F)(F)F
InChIKey
MWGSZQXKIYWSFS-UHFFFAOYSA-N
Molecular formula
C7H7F5O3
Average molar mass
234.12 g/mol
Monoisotopic mass
234.03153489

Names & identifiers

Preferred name
Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate
IUPAC
ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate
English name
ETHYL PENTAFLUOROPROPIONYLACETATE
Molecular formula
C7H7F5O3
Molecular weight
234.12

Names & synonyms

Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerateRefChem:595096628-364-1Ethyl pentafluoropropionylacetate663-35-4Ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoateEthyl pentafluoropropionyl acetateMFCD00013569C7H7F5O3Pentanoic acid, 4,4,5,5,5-pentafluoro-3-oxo-, ethyl esterethyl 3-oxo-4,4,5,5,5-pentafluoropentanoateEthyl pentafluoropropanoyl acetate
Show more names
AKOS B020260ART-CHEM-BB B0202605-fluoropylacetic acidethyl esterEthyl(pentafluoropropionyl)acetate95%Ethyl (pentafluoropropionyl)acetate 95%Pentafluoropropionylaceticacidethylester
DTXSID20880144ETHYLPENTAFLUOROPROPIONYLACETATE4,4,5,5,5-pentafluoro-3-oxovaleric acid ethylethyl 4,4,5,5,5-pentafluoro-3-oxo-pentanoateSCHEMBL1262144,4,5,5,5-Pentafluoro-3-oxovaleric Acid Ethyl EsterSBB032272AKOS000310041

Database identifiers

CAS
663-35-4
PubChem CID
522203
DTXSID
DTXSID20880144
EC Number
628-364-1
Nikkaji
J208.922J

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
15

Physicochemical properties

Boiling point
143 · 143-145 °C (lit.)
Density
1.338 g/mL · 1.338 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.367(lit.)
Flash point
118 °F · 118 °F
pka
7.66 · 7.66±0.46(Predicted)
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (13.3%)；Eye Irrit. 2 (13.3%)；STOT SE 3 (11.1%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 3272 3/PG 3
hs_code
29183000
risk_code
10
Signal word
Warning

Chemistry & industry

Applications

General DescriptionEthyl pentafluoropropionyl acetate is a fluorinated ester

Upstream & downstream products

Suppliers49 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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