Methyl 2,2,3,3,4,4,4-heptafluorobutanoate

HCID 67741CAS 356-24-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
MRPUVAKBXDBGJQ-UHFFFAOYSA-N
Molecular formula
C5H3F7O2
Average molar mass
228.06 g/mol
Monoisotopic mass
228.00212688

Names & identifiers

Preferred name
Methyl 2,2,3,3,4,4,4-heptafluorobutanoate
IUPAC
methyl 2,2,3,3,4,4,4-heptafluorobutanoate
English name
METHYL HEPTAFLUOROBUTYRATE
Molecular formula
C5H3F7O2
Molecular weight
228.06

Names & synonyms

Methyl heptafluorobutyrate356-24-1Methyl 2,2,3,3,4,4,4-heptafluorobutanoateMethyl perfluorobutyrateButanoic acid, heptafluoro-, methyl esterHeptafluorobutyryl methyl esterOZ6T850AR02,2,3,3,4,4,4-Heptafluoro-butyric acid methyl esterRefChem:817767206-600-0Methyl heptafluorobutanoateMethyl perfluorobutanoate
Show more names
methylheptafluorobutanoateMETHYL PERFLUORO-N-BUTYRATEMethylHeptafluorobutyrate>METHYL HEPTAFLUORO-N-BUTYRATEMethyl perfluorobutanoate 98%Methylheptafluorobutyrate,98%
Heptafluorobutyric acid methyl esterMFCD00000433Butyric acid, heptafluoro-, methyl esterDTXSID4059881methylheptafluorobutyrateButanoic acid, 2,2,3,3,4,4,4-heptafluoro-, methyl esterEINECS 206-600-0methyl perfluorbutanoate

Database identifiers

CAS
356-24-1
PubChem CID
67741
DTXSID
DTXSID4059881
UNII
OZ6T850AR0
EC Number
206-600-0
Nikkaji
J111.004G

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
14

Experimental & physicochemical properties

PFAS · 4 items

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

PFAS -> OECD Category

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Melting point
-86 °C · -86°C
Boiling point
80 · 80-81 °C(lit.)
Density
1.472 g/mL · 1.472 g/mL at 25 °C(lit.)
vapor density
1 · >1 (vs air)
refractive index
20 · n20/D 1.293(lit.)
Flash point
230 °F · >230 °F

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 InformationStatus: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24059
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
tsca
TSCA listed
ridadr
UN 3272 3/PG II
hs_code
29159000
risk_code
36/37/38
Signal word
Danger

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationButanoic acid, 2,2,3,3,4,4,4-heptafluoro-, methyl ester: ACTIVE

Applications

UsesMethyl Heptafluorobutyrate is used in method for preparing high-carbon branched secondary Alcohol, and its application in preparing surfactant.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

12 records
New reaction record

Linked notes

Loading…