Home > Compound List > Compound details
90035-08-8 molecular structure
click picture or here to close

4-hydroxy-3-[3-(4-{[4-(trifluoromethyl)phenyl]methoxy}phenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-chromen-2-one

ChemBase ID: 156350
Molecular Formular: C33H25F3O4
Molecular Mass: 542.5444096
Monoisotopic Mass: 542.17049394
SMILES and InChIs

SMILES:
c1ccc2c(c1)CC(CC2c1c(c2ccccc2oc1=O)O)c1ccc(cc1)OCc1ccc(cc1)C(F)(F)F
Canonical SMILES:
O=c1oc2ccccc2c(c1C1CC(Cc2c1cccc2)c1ccc(cc1)OCc1ccc(cc1)C(F)(F)F)O
InChI:
InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2
InChIKey:
KKBGNYHHEIAGOH-UHFFFAOYSA-N

Cite this record

CBID:156350 http://www.chembase.cn/molecule-156350.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-hydroxy-3-[3-(4-{[4-(trifluoromethyl)phenyl]methoxy}phenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-chromen-2-one
IUPAC Traditional name
stratgem
Synonyms
Flocoumafen
4-Hydroxy-3-[1,2,3,4-tetrahydro-3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-naphthalenyl]-2H-1-benzopyran-2-one
Storm
WL 108366
Flocoumafen
氟鼠灵
CAS Number
90035-08-8
EC Number
421-960-0
MDL Number
MFCD01662724
PubChem SID
162250488
PubChem CID
54698175

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 54698175 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.324253  H Acceptors
H Donor LogD (pH = 5.5) 7.589936 
LogD (pH = 7.4) 6.5473084  Log P 7.6504927 
Molar Refractivity 146.5757 cm3 Polarizability 55.01284 Å3
Polar Surface Area 55.76 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
23 °C expand Show data source
73.4 °F expand Show data source
RTECS
DJ3100300 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2811 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
Hazard Class
6.1 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
26/27/28-48/23/24/25-50/53 expand Show data source
Safety Statements
28-36/37/39-45-60-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H310-H330-H372-H410 expand Show data source
GHS Precautionary statements
P273-P314-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 1 expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Description
mixture of isomers expand Show data source
Empirical Formula (Hill Notation)
C33H25F3O4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 34084 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - F401500 external link
Flocoumafen is a second generation anticoagulant rodenticide. Flocoumafen is extremely effective against strains of pest rodents resistant to conventional anticoagulants. Flocoumafen is highly toxic and is used strictly in sewers and indoors in some place

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Bowler, D.J. et al.: Br. Crop Prot. Conf. Pests Dis. Proc., 2, 397 (1984)
  • • Rowe, F.P. et al.: J. Hygiene, 95, 623 (1984)
  • • Vandenbroucke, V. et al.: J. Vet. Pharmacol. Therap., 31, 437 (1984)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle