Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate

HCID 9673CAS 360-54-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(C(F)(F)F)C(F)(F)F
InChIKey
JGGBVFLRNNDHCM-UHFFFAOYSA-N
Molecular formula
C5H4F6O2
Average molar mass
210.07 g/mol
Monoisotopic mass
210.01154834

Names & identifiers

Preferred name
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
IUPAC
methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
English name
METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE
Molecular formula
C5H4F6O2
Molecular weight
210.07

Names & synonyms

Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoatemethyl 2-(trifluoromethyl)-3,3,3-trifluoropropionateRefChem:813786808-139-6360-54-3Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, methyl esterMethyl 3,3,3-trifluoro-2-(trifluoromethyl)propionateMethyl hexafluoroisobutyrateMFCD00054663ISOBUTYRIC ACID, HEXAFLUORO-, METHYL ESTERBRN 1787515methyl 2-(trifluoromethyl)-3,3,3-trifluoropropanoate
Show more names
methylhexafluoroisobutyratehexafluoro-isobutyricacimethylester2-(Methoxycarbonyl)-2H-perfluoropropaneMethyl2H-hexafluoro-2-methylpropanoate98%Methyl 2H-perfluoro-2-methylpropanoate 98%Methyl 2-(trifluoromethyl)-3,3,3-trifluoro-Methyl 2H-hexafluoro-2-methylpropanoate 98%
Methyl 2H-hexafluoro-2-methylpropanoate4-02-00-00856 (Beilstein Handbook Reference)SCHEMBL3140450DTXSID0073168Methyl bis(trifluoromethyl)acetateSBB094286AKOS016015328Methyl 2,2-Bis(trifluoromethyl)acetate

Database identifiers

CAS
360-54-3
PubChem CID
9673
DTXSID
DTXSID0073168
EC Number
808-139-6
Nikkaji
J26.245E

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Boiling point
90 · 90-91°C
Density
1.604 · 1.604
refractive index
1.269 · 1.269
Flash point
60 °C · 60°C
form
clear liquid
color
Colorless to Almost colorless

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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. 2 (100%)；Acute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

rtecs
NQ4690000
ridadr
3272
hs_code
2915907098
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS02,GHS06

Chemistry & industry

Upstream & downstream products

Suppliers37 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

Related reactions

10 records
New reaction record

Linked notes

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