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CHEMICAL STRUCTURES OF ORGANIC ANALYTES

Polychlorinated Biphenyl Congeners


BZ #1
CAS No: 2051-60-7
Formula: C12H9Cl
MW: 188


BZ #8
CAS No: 34883-43-7
Formula: C12H8Cl2
MW: 222


BZ #18
CAS No: 37680-65-2
Formula: C12H7Cl3
MW: 256


BZ #29
CAS No: 15862-07-4
Formula: C12H7Cl3
MW: 256


BZ #50
CAS No: 62796-65-8
Formula: C12H6Cl4
MW: 290


BZ #28
CAS No: 7012-37-5
Formula: C12H7Cl3
MW: 256


BZ #52
CAS No: 35693-99-3
Formula: C12H6Cl4
MW: 290


BZ #104
CAS No: 56558-16-8
Formula: C12H5Cl5
MW: 324


BZ #44
CAS No: 41464-39-5
Formula: C12H6Cl4
MW: 290


BZ #66
CAS No: 32598-10-0
Formula: C12H6Cl4
MW: 290


BZ #77
CAS No: 32598-13-3
Formula: C12H6Cl4
MW: 290


BZ #101
CAS No: 37680-73-2
Formula: C12H5Cl5
MW: 324


BZ #87
CAS No: 38380-02-8
Formula: C12H5Cl5
MW: 324


BZ #118
CAS No: 31508-00-6
Formula: C12H5Cl5
MW: 324


BZ #188
CAS No: 74487-85-7
Formula: C12H3Cl7
MW: 392

 


BZ #153
CAS No: 35065-27-1
Formula: C12H4Cl6
MW: 358

BZ #105
CAS No: 32598-14-4
Formula: C12H5Cl5
MW: 324

BZ #138
CAS No: 35065-28-2
Formula: C12H4Cl6
MW: 358

 


BZ #126
CAS No: 57465-28-8
Formula: C12H5Cl5
MW: 324
BZ #187
CAS No: 52663-68-0
Formula: C12H3Cl7
MW: 392
BZ #128
CAS No: 38380-07-3
Formula: C12H4Cl6
MW: 358

 


BZ #200
CAS No: 40186-71-8
Formula: C12H2Cl8
MW: 426
BZ #180
CAS No: 35065-29-3
Formula: C12H3Cl7
MW: 392
BZ #170
CAS No: 35065-30-6
Formula: C12H3Cl7
MW: 392

 


BZ #195
CAS No: 52663-78-2
Formula: C12H2Cl8
MW: 426
BZ #206
CAS No: 40186-72-9
Formula: C12HCl9
MW: 460
BZ #209
CAS No: 2051-24-3
Formula: C12Cl10
MW: 494

 

DDTs and Metabolites

 

4,4'-DDT
CAS No: 50-29-3
Formula: C14H9Cl5
MW: 352
2,4'-DDT
CAS No: 789-02-6
Formula: C14H9Cl5
MW: 352		  

 


4,4'-DDD
CAS No: 72-54-8
Formula: C14H10Cl4
MW: 318
2,4'-DDD
CAS No: 53-19-0
Formula: C14H10Cl4
MW: 318		  

 


4,4'-DDE
CAS No: 72-55-9
Formula: C14H8Cl4
MW: 316
2,4'-DDE
CAS No: 3424-82-6
Formula: C14H8Cl4
MW: 316		  

 

Chlordanes

 


Heptachlor
CAS No: 76-44-8
Formula: C10H5Cl7
MW: 370
Heptachlor epoxide
CAS No: 72-55-9
Formula: C10H5Cl7O
MW: 386
Oxychlordane
CAS No: 27304-13-8
Formula: C10H4Cl8O
MW: 420

 

 


alpha-Chlordane
CAS No: 5103-71-9
Formula: C10H6Cl8
MW: 406
trans-Nonachlor
CAS No: 39765-80-5
Formula: C10H5Cl9
MW: 440		  

 

Other Pesticides and Lindane

 

Aldrin
CAS No: 309-00-2
Formula: C12H8Cl6
MW: 362
Dieldrin
CAS No: 60-57-1
Formula: C12H8Cl6O
MW: 378
Endrin
CAS No: 72-20-8
Formula: C12H8Cl6O
MW: 378

 


Hexachlorobenzene
CAS No: 118-74-1
Formula: C6Cl6
MW: 282
Lindane
CAS No: 58-89-9
Formula: C6H6Cl6
MW: 288
Octachlorostyrene
CAS No: 29082-74-4
Formula: C8Cl8
MW: 376

 


Mirex
CAS No: 2385-85-5
Formula: C10Cl12
MW: 540
Photomirex
CAS No: 39801-14-4
Formula: C10HCl11
MW: 506		  

 

Low-Molecular-Weight Polycyclic Aromatic Hydrocarbons

 

Naphthalene
CAS No: 91-20-3
Formula: C10H8
MW: 128
1-Methylnaphthalene
CAS No: 90-12-0
Formula: C11H10
MW: 142
2-Methylnaphthalene
CAS No: 91-57-6
Formula: C11H10
MW: 142

 

 


Biphenyl
CAS No: 92-52-4
Formula: C12H10
MW: 154
2,6-Dimethylnaphthalene
CAS No: 581-42-0
Formula: C12H12
MW: 156
Acenaphthylene
CAS No: 208-96-8
Formula: C12H8
MW: 152

 

 


Acenaphthene
CAS No: 83-32-9
Formula: C12H10
MW: 154
2,3,5-Trimethylnaphthalene
CAS No: 2245-38-7
Formula: C13H14
MW: 170
Fluorene
CAS No: 86-73-7
Formula: C13H10
MW: 166

 

 


Phenanthrene
CAS No: 85-01-8
Formula: C14H10
MW: 178
Anthracene
CAS No: 120-12-7
Formula: C14H10
MW: 178
1-Methylphenanthrene
CAS No: 832-69-9
Formula: C15H12
MW: 192

 

High-Molecular-Weight Polycyclic Aromatic Hydrocarbons

 


 

2,3,7,8-Substituted Polychlorinated Dibenzo[p]dioxins

 

2,3,7,8-Tetrachlorodibenzo[p]dioxin
CAS No: 1746-01-6
Formula: C12H4Cl4O2
MW: 320
1,2,3,7,8-Pentachlorodibenzo[p]dioxin
CAS No: 40321-76-4
Formula: C12H3Cl5O2
MW: 354		  

 


1,2,3,4,7,8-Hexachlorodibenzo[p]dioxin
CAS No: 39227-28-6
Formula: C12H2Cl6O2
MW: 388
1,2,3,6,7,8-Hexachlorodibenzo[p]dioxin
CAS No: 57653-85-7
Formula: C12H2Cl6O2
MW: 388		  

 

 


1,2,3,7,8,9-Hexachlorodibenzo[p]dioxin
CAS No: 19408-74-3
Formula: C12H2Cl6O2
MW: 388
1,2,3,4,6,7,8-Heptachlorodibenzo[p]dioxin
CAS No: 35822-39-4
Formula: C12HCl7O2
MW: 422		  

 


Octachlorodibenzo[p]dioxin
CAS No: 3268-87-9
Formula: C12Cl8O2
MW: 456

    

 

2,3,7,8-Substituted Polychlorinated Dibenzofurans

 

2,3,7,8-Tetrachlorodibenzofuran
CAS No: 51207-31-9
Formula: C12H4Cl4O
MW: 304
1,2,3,7,8-Pentachlorodibenzofuran
CAS No: 57117-41-6
Formula: C12H3Cl5O
MW: 338		  

 

 


2,3,4,7,8-Pentachlorodibenzofuran
CAS No: 57117-31-4
Formula: C12H3Cl5O
MW: 338
1,2,3,4,7,8-Hexachlorodibenzofuran
CAS No: 70648-26-9
Formula: C12H2Cl6O
MW: 372		  

 

 


1,2,3,6,7,8-Hexachlorodibenzofuran
CAS No: 57117-44-9
Formula: C12H2Cl6O
MW: 372
2,3,4,6,7,8-Hexachlorodibenzofuran
CAS No: 60851-34-5
Formula: C12H2Cl6O
MW: 372		  

 

 


1,2,3,7,8,9-Hexachlorodibenzofuran
CAS No: 72918-21-9
Formula: C12H2Cl6O
MW: 372
1,2,3,4,6,7,8-Heptachlorodibenzofuran
CAS No: 67562-39-4
Formula: C12HCl7O
MW: 406		  

 

 


1,2,3,4,7,8,9-Heptachlorodibenzofuran
CAS No: 55673-89-7
Formula: C12HCl7O
MW: 406
Octachlorodibenzofuran
CAS No: 39001-02-0
Formula: C12Cl8O
MW: 440
  

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 (Modified Jun. 13 2008)