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52663-63-5 molecular structure
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1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene

ChemBase ID: 156379
Molecular Formular: C12H4Cl6
Molecular Mass: 360.87816
Monoisotopic Mass: 357.84441621
SMILES and InChIs

SMILES:
c1cc(c(cc1Cl)c1c(c(cc(c1Cl)Cl)Cl)Cl)Cl
Canonical SMILES:
Clc1ccc(c(c1)c1c(Cl)c(Cl)cc(c1Cl)Cl)Cl
InChI:
InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H
InChIKey:
UHCLFIWDCYOTOL-UHFFFAOYSA-N

Cite this record

CBID:156379 http://www.chembase.cn/molecule-156379.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene
IUPAC Traditional name
1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene
Synonyms
2,2′,3,5,5′,6-PCB
2,2′,3,5,5′,6-Hexachlorobiphenyl
PCB No 151
2,2′,3,5,5′,6-六氯联苯
PCB 151
CAS Number
52663-63-5
EC Number
215-648-1
MDL Number
MFCD00152538
PubChem SID
24860963
162250517
PubChem CID
40471

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
34156 external link Add to cart Please log in.
Data Source Data ID
PubChem 40471 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.244739  LogD (pH = 7.4) 7.244739 
Log P 7.244739  Molar Refractivity 80.023 cm3
Polarizability 32.670483 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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)
C12H4Cl6 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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