N-(Heptafluorobutyryl)imidazole

HCID 94431
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Basic information

CAS
32477-35-3
Standard SMILES
O=C(n1ccnc1)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
MSYHGYDAVLDKCE-UHFFFAOYSA-N
Molecular formula
C7H3F7N2O
Average molar mass
264.1 g/mol
Monoisotopic mass
264.01336026

Names & identifiers

Preferred name
N-(Heptafluorobutyryl)imidazole
IUPAC
2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one
English name
N-Heptafluorobutyrylimidazole
Molecular formula
C7H3F7N2O
Molecular weight
264.1

Names & synonyms

n-Heptafluorobutyrylimidazole32477-35-31-(Heptafluorobutyryl)imidazoleN-(Heptafluorobutyryl)imidazole2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-oneDTXSID40186211QYQ23V3KJK1-HFBINSC-151966HFBI N-(heptafluorobutyryl)imidazoleRefChem:420169DTXCID50108702
Show more names
HFBI1-(HeptafLNSC 151966uorobutyryLHeptafluorobutyric iMidazoleN-HEPTAFLUOROBUTANOYLIMIDAZOLE
251-063-82,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)butan-1-oneHeptafluorobutyrylimidazole1-(Perfluorobutyryl)imidazoleMFCD000145031-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)-1H-imidazole1-(Perfluorobutanoyl)-1H-imidazolePS-11103

Database identifiers

CAS
32477-35-3
PubChem CID
94431
DTXSID
DTXSID40186211
UNII
QYQ23V3KJK
EC Number
251-063-8
Nikkaji
J208.581J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
2
Heavy atoms
17

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> Other/unspecified

Physicochemical properties

Melting point
9 · 9-13 °C
Boiling point
161 °C · 161 °C(lit.)
Density
1.49 g/mL · 1.490 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.3865(lit.)
Flash point
171 °F · 171 °F
storage temp.
2 · 2-8°C

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 8 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
3-10-21
wgk
3
ridadr
NA 1993 / PGIII
hs_code
29332900
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications · 3 items

Uses1-(Heptafluorobutyryl)imidazole is used in gas chromatography for the determination of various pharmaceutical compounds like retronecine in biological matrixes. It acts as a reagent for derivatize amine-groups. It plays an essential role to reduce GC column degradation due to its non-acidic property. It is an acylating agent, which converts thermally unstable compounds to its more volatile derivative and then made suitable for GC analysis.

UsesN-Heptafluorobutyrylimidazole is a derivatization agent used in gas chromatography for determination of various pharmaceutical compounds such as retronecine in biological matrixes.

General DescriptionMay form a precipitate and may darken on storage-will not effect performance.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

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Compound notes

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CAS 32477-35-3 N-(Heptafluorobutyryl)imidazole (HCID 94431)｜Huagongshe