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32598-11-1 molecular structure
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1,2-dichloro-4-(2,5-dichlorophenyl)benzene

ChemBase ID: 156383
Molecular Formular: C12H6Cl4
Molecular Mass: 291.98804
Monoisotopic Mass: 289.92236091
SMILES and InChIs

SMILES:
c1cc(c(cc1c1cc(ccc1Cl)Cl)Cl)Cl
Canonical SMILES:
Clc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)Cl
InChI:
InChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H
InChIKey:
KENZYIHFBRWMOD-UHFFFAOYSA-N

Cite this record

CBID:156383 http://www.chembase.cn/molecule-156383.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dichloro-4-(2,5-dichlorophenyl)benzene
IUPAC Traditional name
1,2-dichloro-4-(2,5-dichlorophenyl)benzene
Synonyms
2,3′,4′,5-PCB
2,3′,4′,5-Tetrachlorobiphenyl
PCB No 70
2,3′,4′,5-四氯联苯
PCB 70
CAS Number
32598-11-1
EC Number
215-648-1
MDL Number
MFCD00152848
PubChem SID
162250521
24861017
PubChem CID
36186

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
34199 external link Add to cart Please log in.
Data Source Data ID
PubChem 36186 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.0366497  LogD (pH = 7.4) 6.0366497 
Log P 6.0366497  Molar Refractivity 70.4134 cm3
Polarizability 28.776815 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
DV8680000 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
3432 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
33-50/53 expand Show data source
Safety Statements
35-60-61 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H373-H410 expand Show data source
GHS Precautionary statements
P273-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3432 9/PG 2 expand Show data source
Grade
analytical standard, for environmental analysis expand Show data source
Empirical Formula (Hill Notation)
C12H6Cl4 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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