Propanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester

HCID 9783CAS 378-75-6
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(F)(F)C(F)(F)F
InChIKey
JMKJCPUVEMZGEC-UHFFFAOYSA-N
Molecular formula
C4H3F5O2
Average molar mass
178.06 g/mol
Monoisotopic mass
178.00532044

Names & identifiers

Preferred name
Propanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester
IUPAC
methyl 2,2,3,3,3-pentafluoropropanoate
English name
Methyl pentafluoropropionate
Molecular formula
C4H3F5O2
Molecular weight
178.06

Names & synonyms

Methyl pentafluoropropionate378-75-6methyl 2,2,3,3,3-pentafluoropropanoatePentafluoropropionic acid methyl esterPropanoic acid, pentafluoro-, methyl esterPerfluoropropionic acid, methyl esterEINECS 206-828-0BRN 1777501Methylester kyseliny pentafluorpropionoveMethylester kyseliny pentafluorpropionove [Czech]PROPIONIC ACID, PENTAFLUORO-, METHYL ESTERPropanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester
Show more names
PERFLUOROPROPIONIC ACID METHYL ESTERMETHYL PENTAFLUORMethyl pentafluoroprMethyl PerfluoropropioteMethyl perfluoropoppionatMethyl pentafluoropropioteMethyl pentafluoropropanoate
DTXSID2059930JMKJCPUVEMZGEC-UHFFFAOYSA-4-02-00-00740 (Beilstein Handbook Reference)RefChem:869130DTXCID3039408206-828-0InChI=1/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3Methyl Perfluoropropionate

Database identifiers

CAS
378-75-6
PubChem CID
9783
DTXSID
DTXSID2059930
UNII
MP7B2SX84W
EC Number
206-828-0
Nikkaji
J213.601E

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

PFAS · 2 items

PFAS -> Other/unspecified

PFAS -> Other/unspecified

Physicochemical properties

Boiling point
61 °C739 · 61 °C739 mm Hg(lit.)
Density
1.393 g/mL · 1.393 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.288(lit.)
Flash point
42 °F · 42 °F
storage temp.
Flammables area
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

wgk
2
tsca
TSCA listed
rtecs
UF6475500
ridadr
UN 3272 3/PG 2
hs_code
29159000
risk_code
11-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester: INACTIVE

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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