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2051-24-3 molecular structure
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1,2,3,4,5-pentachloro-6-(pentachlorophenyl)benzene

ChemBase ID: 156398
Molecular Formular: C12Cl10
Molecular Mass: 498.6584
Monoisotopic Mass: 493.6885268
SMILES and InChIs

SMILES:
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
Canonical SMILES:
Clc1c(c2c(Cl)c(Cl)c(c(c2Cl)Cl)Cl)c(Cl)c(c(c1Cl)Cl)Cl
InChI:
InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
InChIKey:
ONXPZLFXDMAPRO-UHFFFAOYSA-N

Cite this record

CBID:156398 http://www.chembase.cn/molecule-156398.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4,5-pentachloro-6-(pentachlorophenyl)benzene
IUPAC Traditional name
decachlorobiphenyl
Synonyms
2,2′,3,3′,4,4′,5,5′,6,6′-PCB
Decachlorobiphenyl
PCB No 209
Decachlorobiphenyl
Decachlorobiphenyl solution
Decachlorobiphenyl solution
PCB No 209 solution
十氯联苯
PCB 209
十氯联苯
十氯联苯 溶液
十氯联苯 溶液
PCB 209 溶液
CAS Number
2051-24-3
EC Number
218-115-1
MDL Number
MFCD00055243
Beilstein Number
2065289
PubChem SID
24867894
24871874
24861848
24860587
162250536
PubChem CID
16318
Ballschmiter Number
209

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16318 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.660918  LogD (pH = 7.4) 9.660918 
Log P 9.660918  Molar Refractivity 99.2422 cm3
Polarizability 40.704983 Å3 Polar Surface Area 0.0 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
24.8 °F expand Show data source
-4 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1090 expand Show data source
1206 expand Show data source
3432 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
9 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-33-38-50/53-65-67 expand Show data source
33-50/53 expand Show data source
Safety Statements
16-61-62 expand Show data source
60-61 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H225-H304-H315-H336-H373-H410 expand Show data source
H373-H410 expand Show data source
GHS Precautionary statements
P210-P261-P273-P301 + P310-P331-P501 expand Show data source
P273-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves expand Show data source
RID/ADR
UN 1090 3/PG 2 expand Show data source
UN 1206 3/PG 2 expand Show data source
UN 3432 9/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
10 μg/mL in heptane expand Show data source
200 μg/mL in acetone expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
Packaging
ampule of 1 mL expand Show data source
ampule of 100 mg expand Show data source
Suitability
suitable for 8082 per US EPA expand Show data source
suitable for 8310 per US EPA expand Show data source
Feature
standard type surrogate expand Show data source
Empirical Formula (Hill Notation)
C12Cl10 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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