Home > Compound List > Compound details
73980-71-9 molecular structure
click picture or here to close

2,2,3,3,4,4,4-heptafluoro-N-(heptafluorobutanoyl)-N-methylbutanamide

ChemBase ID: 97121
Molecular Formular: C9H3F14NO2
Molecular Mass: 423.1032648
Monoisotopic Mass: 422.99402342
SMILES and InChIs

SMILES:
N(C)(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(F)(F)C(F)(F)F)(F)F
Canonical SMILES:
CN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C9H3F14NO2/c1-24(2(25)4(10,11)6(14,15)8(18,19)20)3(26)5(12,13)7(16,17)9(21,22)23/h1H3
InChIKey:
BCQYNSPESDDJBZ-UHFFFAOYSA-N

Cite this record

CBID:97121 http://www.chembase.cn/molecule-97121.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,4-heptafluoro-N-(heptafluorobutanoyl)-N-methylbutanamide
IUPAC Traditional name
2,2,3,3,4,4,4-heptafluoro-N-(heptafluorobutanoyl)-N-methylbutanamide
Synonyms
N-Methylbis(heptafluorobutyramide)
MBHFBA
N-Methyl-bis-perfluorobutyramide
N-Methyl-bis-heptafluorobutyramide
N-METHYL-bis-HEPTAFLUOROBUTYRAMIDE
N-甲基双全氟丁酰胺
N-甲基-双-七氟丁酰胺
CAS Number
73980-71-9
MDL Number
MFCD00049280
Beilstein Number
6986874
PubChem SID
162083738
24887281
PubChem CID
597974

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 597974 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.249224  LogD (pH = 7.4) 4.249224 
Log P 4.249224  Molar Refractivity 49.6209 cm3
Polarizability 18.911093 Å3 Polar Surface Area 37.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
1.686 expand Show data source
1.686 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.323 expand Show data source
n20/D 1.323 expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥96.0% (GC) expand Show data source
Certificate of Analysis
Download expand Show data source
Quality
for GC/MS derivatization expand Show data source
Empirical Formula (Hill Notation)
C9H3F14NO2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204343 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 78268 external link
Other Notes
Derivatizing agent for amines, alcohols and thiols, forming neutral butyramide1

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle