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14255-88-0 molecular structure
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phenyl 5,6-dichloro-2-(trifluoromethyl)-1H-1,3-benzodiazole-1-carboxylate

ChemBase ID: 157758
Molecular Formular: C15H7Cl2F3N2O2
Molecular Mass: 375.1294896
Monoisotopic Mass: 373.98366749
SMILES and InChIs

SMILES:
c1ccc(cc1)OC(=O)n1c2cc(c(cc2nc1C(F)(F)F)Cl)Cl
Canonical SMILES:
Clc1cc2nc(n(c2cc1Cl)C(=O)Oc1ccccc1)C(F)(F)F
InChI:
InChI=1S/C15H7Cl2F3N2O2/c16-9-6-11-12(7-10(9)17)22(13(21-11)15(18,19)20)14(23)24-8-4-2-1-3-5-8/h1-7H
InChIKey:
ISVQSVPUDBVFFU-UHFFFAOYSA-N

Cite this record

CBID:157758 http://www.chembase.cn/molecule-157758.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
phenyl 5,6-dichloro-2-(trifluoromethyl)-1H-1,3-benzodiazole-1-carboxylate
IUPAC Traditional name
fenazaflor
Synonyms
Fenazaflor
抗螨唑
CAS Number
14255-88-0
EC Number
238-134-9
MDL Number
MFCD00055497
Beilstein Number
964952
PubChem SID
162251895
PubChem CID
26597

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
36504 external link Add to cart Please log in.
Data Source Data ID
PubChem 26597 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3200445  LogD (pH = 7.4) 5.3200455 
Log P 5.3200455  Molar Refractivity 80.7005 cm3
Polarizability 31.815289 Å3 Polar Surface Area 44.12 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>100 °C expand Show data source
>212 °F expand Show data source
RTECS
DD6650000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
21/22-50/53 expand Show data source
Safety Statements
36/37-60-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H410 expand Show data source
GHS Precautionary statements
P273-P280-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Empirical Formula (Hill Notation)
C15H7Cl2F3N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 36504 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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