Home > Compound List > Compound details
434-41-3 molecular structure
click picture or here to close

2-chloro-1,1,1,3,4,4,4-heptafluorobut-2-ene

ChemBase ID: 7999
Molecular Formular: C4ClF7
Molecular Mass: 216.4846224
Monoisotopic Mass: 215.95767522
SMILES and InChIs

SMILES:
C(=C(\C(F)(F)F)/Cl)(/C(F)(F)F)\F
Canonical SMILES:
F/C(=C(\C(F)(F)F)/Cl)/C(F)(F)F
InChI:
InChI=1S/C4ClF7/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+
InChIKey:
WZCQDYGWGDYQNC-OWOJBTEDSA-N

Cite this record

CBID:7999 http://www.chembase.cn/molecule-7999.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-1,1,1,3,4,4,4-heptafluorobut-2-ene
(2E)-2-chloro-1,1,1,3,4,4,4-heptafluorobut-2-ene
IUPAC Traditional name
2-chloro-1,1,1,3,4,4,4-heptafluorobut-2-ene
(2E)-2-chloro-1,1,1,3,4,4,4-heptafluorobut-2-ene
Synonyms
3-Chloroheptafluoro-2-butene
3-Chloroheptafluorobut-2-ene
2-Chloroheptafluorobut-2-ene 98%
2-Chloroheptafluoro-2-butene
3-氯七氟-2-丁烯
CAS Number
434-41-3
EC Number
000-000-0
MDL Number
MFCD00039261
Beilstein Number
1783461
PubChem SID
160971306
PubChem CID
2736593

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2736593 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6211166  LogD (pH = 7.4) 2.6211166 
Log P 2.6211166  Molar Refractivity 28.0318 cm3
Polarizability 9.781048 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
31-32°C expand Show data source
32°C expand Show data source
32.2°C expand Show data source
Density
1.548 expand Show data source
1.5482 expand Show data source
Refractive Index
1.2940 expand Show data source
1.2946 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
Risk Statements
36/37/38 expand Show data source
Safety Statements
23-24/25 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
96% expand Show data source
98% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific

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