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Methyl 2,3,3,3-tetrafluoropropanoate

HCID 67840
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Basic information

CAS
382-93-4
Standard SMILES
COC(=O)C(F)C(F)(F)F
InChIKey
YPGCUXBNTDXTKF-UHFFFAOYSA-N
Molecular formula
C4H4F4O2
Average molar mass
160.07 g/mol
Monoisotopic mass
160.01474201

Names & identifiers

Preferred name
Methyl 2,3,3,3-tetrafluoropropanoate
IUPAC
methyl 2,3,3,3-tetrafluoropropanoate
English name
Methyl 2,3,3,3-tetrafluoropropionate
Molecular formula
C4H4F4O2
Molecular weight
160.07

Names & synonyms

Methyl 2,3,3,3-tetrafluoropropionatemethyl 2,3,3,3-tetrafluoropropanoateDTXSID70959152RefChem:812883DTXCID301387040691-002-6382-93-4Propionic acid, 2,3,3,3-tetrafluoro-, methyl esterMETHYL2,3,3,3-TETRAFLUOROPROPIONATEMFCD00041536Methyl tetrafluoropropionateBRN 1769136
Show more names
RARECHEM AL BF 1421methyltetrafluoropropionateMethyl2H-perfluoropropanoate97%Methyl 2H-perfluoropropanoate 97%Methyl2,3,3,3-tetrafluoropropionate97%Methyl 2,3,3,3-tetrafluoropropionate 97%
2,3,3,3-Tetrafluoropropionic acid methyl esterMethyl 2H-perfluoropropanoate4-02-00-00737 (Beilstein Handbook Reference)SCHEMBL197319SBB087404AKOS0062296352,3,3,3-tetrafluoro-propionic acid methyl ester

Database identifiers

CAS
382-93-4
PubChem CID
67840
DTXSID
DTXSID70959152
EC Number
691-002-6
Nikkaji
J26.228E

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
130

Physicochemical properties

Boiling point
95 °C · 95°C
Density
1 · 1,353 g/cm3
refractive index
1.318 · 1.318
Flash point
25 · 25
CAS DataBase Reference
382 · 382-93-4(CAS DataBase Reference)
EWG's Food Scores
1 · 1
Symbol(GHS)
2 · GHS02
Signal word
Warning
Hazard statements
226 · H226
Hazard Codes
F
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39
Hazard Note
Flammable
HS Code
2915900090 · 2915900090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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

hs_code
2915900090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS02
hazard_code
F
hazard_note
Flammable
safety_code
26-36/37/39
Hazard statements
H226

Related reactions

3 records
New reaction record
HRID 1230135 reaction equation
HRID 1230135As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1290327 reaction equation
HRID 1290327As reactantuspto-grants-1998_05
HRID 1290328 reaction equation
HRID 1290328As reactantuspto-grants-1998_05

Compound notes

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