Ethyl perfluoroheptanoate

HCID 526468
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Basic information

CAS
41430-70-0
Standard SMILES
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
ZESCSNXJAROIJS-UHFFFAOYSA-N
Molecular formula
C9H5F13O2
Average molar mass
392.11 g/mol
Monoisotopic mass
392.0081955

Names & identifiers

Preferred name
Ethyl perfluoroheptanoate
IUPAC
ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
English name
ETHYL PERFLUOROHEPTANOATE
Molecular formula
C9H5F13O2
Molecular weight
392.11

Names & synonyms

Ethyl perfluoroheptanoateethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoateMMH3W668W4EINECS 255-362-4DTXSID80194350Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, ethyl esterRefChem:139036DTXCID90116841255-362-4ZESCSNXJAROIJS-UHFFFAOYSA-N41430-70-0Heptanoic acid, tridecafluoro-, ethyl ester
Show more names
Ethylperfluoroheptanoate98%Ethyl perfluoroheptanoate 98%Ethyl=tridecafluoroheptanoateHeptanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, ethyl ester
MFCD00039242UNII-MMH3W668W42,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid ethyl esterEthyl tridecafluoroheptanoateEthylperfluoroheptanoateC6F13COOC2H5SCHEMBL2691524AKOS007930396

Database identifiers

CAS
41430-70-0
PubChem CID
526468
DTXSID
DTXSID80194350
UNII
MMH3W668W4
EC Number
255-362-4
Nikkaji
J267.308H

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
15
Rotatable bonds
7
Heavy atoms
24

Experimental & physicochemical properties

Kovats Retention Index724；723.8

Physicochemical properties

Boiling point
87 °C · 87°C 20mm
Density
1.557 · 1.557±0.06 g/cm3(Predicted)
CAS DataBase Reference
41430 · 41430-70-0(CAS DataBase Reference)
FDA UNII
3 W668W4 · MMH3W668W4
EPA Substance Registry System
Ethyl perfluoroheptanoate (41430-70-0)
Symbol(GHS)
2 · GHS02

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

Safety data

hs_code
2915907098
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS02
hazard_code
F
safety_code
26-36

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

Upstream & downstream products

Suppliers19 total

常州新氟化学有限公司13275212658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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