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378-75-6 molecular structure
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methyl 2,2,3,3,3-pentafluoropropanoate

ChemBase ID: 8784
Molecular Formular: C4H3F5O2
Molecular Mass: 178.057436
Monoisotopic Mass: 178.00532044
SMILES and InChIs

SMILES:
O=C(C(C(F)(F)F)(F)F)OC
Canonical SMILES:
COC(=O)C(C(F)(F)F)(F)F
InChI:
InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3
InChIKey:
JMKJCPUVEMZGEC-UHFFFAOYSA-N

Cite this record

CBID:8784 http://www.chembase.cn/molecule-8784.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2,2,3,3,3-pentafluoropropanoate
IUPAC Traditional name
methyl 2,2,3,3,3-pentafluoropropanoate
Synonyms
Methyl pentafluoropropionate
Pentafluoropropionic acid methyl ester
Methyl pentafluoropropanoate
Methyl pentafluoropropionate
Methyl perfluoropropanoate 99%
Methyl pentafluoropropionate
五氟苯基 丙酸 甲酯
五氟丙酸甲酯
CAS Number
378-75-6
EC Number
206-828-0
MDL Number
MFCD00000430
Beilstein Number
1777501
PubChem SID
160972091
24858109
PubChem CID
9783

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7555197  LogD (pH = 7.4) 1.7555197 
Log P 1.7555197  Molar Refractivity 23.091 cm3
Polarizability 8.921142 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
59-60°C expand Show data source
59-60°C expand Show data source
61 °C/739 mmHg(lit.) expand Show data source
Flash Point
-1°C expand Show data source
-1°C(30°F) expand Show data source
42.8 °F expand Show data source
6 °C expand Show data source
Density
1.393 expand Show data source
1.393 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.288 expand Show data source
1.2880 expand Show data source
1.2885 expand Show data source
n20/D 1.288(lit.) expand Show data source
Storage Warning
Flammable/Irritant expand Show data source
IRRITANT, FLAMMABLE expand Show data source
RTECS
UF6475500 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3272 expand Show data source
UN3272 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
16-26 expand Show data source
7-26-33-37-43-60 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3272 3/PG 2 expand Show data source
Purity
98% expand Show data source
99% expand Show data source
Linear Formula
C2F5CO2CH3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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