pentachlorophenol
Identification (Source:EPA,EU)
| ID |
484 |
| Name |
pentachlorophenol |
| CAS |
87-86-5 |
| IUPAC |
pentachlorophenol |
| Inchi |
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
| CIPAC |
106 |
| EPA Code |
063001 |
| Formula |
C6HCl5O |
| SMILES |
Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1O |
| Status |
Not Approved |
Classification
Properties (Source:PubChem)
| Molecular Weight |
266.34 |
| Physical State |
Colourless crystals |
| AlogP |
4.91 |
| H-Bond Donor |
1 |
| H-Bond Acceptor |
1 |
| Surface Area |
212.44 |
| Polar Surface Area |
20.23 |
Structure
Ecotoxicology (Source:PPDB,IPM)
| Species |
Method |
Study Time |
Dose Type |
Value |
| Algae |
Acute |
72 hour |
EC50, growth |
0.08 mg l-1 |
| Aquatic invertebrates |
Acute |
48 hour |
EC50 |
0.45 mg l-1 |
| Aquatic plants |
Acute |
7 day |
EC50, biomass |
0.12 mg l-1 |
| Birds |
Acute |
|
LD50 |
380 mg kg-1 |
| Earthworms |
Chronic |
14 day |
NOEC, reproduction |
10 mg kg-1 |
| Earthworms |
Acute |
14 day |
LD50 |
48 mg kg-1 |
| Fish |
Acute |
96 hour |
LC50 |
0.17 mg l-1 |
| Honeybees |
Acute |
48 hour |
LD50 |
48 μg bee-1 |
| Mammals |
Acute oral |
|
LD50 |
80 mg kg-1 |
| Mammals |
Short term dietary |
|
NOEL |
3.9 mg kg-1 |
| Sediment dwelling organisms |
Acute |
96 hour |
LC50 |
0.11 mg l-1 |
|
Bio-concentration factor |
|
CT50 |
Not available days |
|
Bio-concentration factor |
|
BCF |
3000 |
Related targets
| Target Name |
RScore (About this table) |
|
|
sulfotransferase
|
1222(5,29,30,97) |
Details |
|
sulfotransferases (protein family or complex)
|
361(4,5,5,11) |
Details |
|
Acetylcholinesterase
|
253(3,3,3,13) |
Details |
|
albumin
|
316(2,6,8,26) |
Details |
|
ATPase
|
205(2,3,3,15) |
Details |
|
transferase
|
199(2,3,3,9) |
Details |
|
estrogen receptor
|
178(2,2,2,18) |
Details |
|
complex is
|
163(2,2,2,3) |
Details |
|
phenol sulfotransferase
|
262(1,6,6,32) |
Details |
|
cytochrome P450 (protein family or complex)
|
239(1,4,8,49) |
Details |
|
androgen receptor
|
144(1,3,3,4) |
Details |
|
PCP 4
|
120(1,2,3,5) |
Details |
|
beta glucuronidase
|
96(1,1,1,16) |
Details |
|
myeloperoxidase
|
95(1,1,3,5) |
Details |
|
glutathione S transferase
|
92(1,1,1,12) |
Details |
|
lactate dehydrogenase (protein family or complex)
|
90(1,1,1,10) |
Details |
|
glutathione transferase
|
90(1,1,1,10) |
Details |
|
HO2
|
87(1,1,1,7) |
Details |
|
hydroxysteroid sulfotransferases
|
86(1,1,1,6) |
Details |
|
P glycoprotein
|
85(1,1,1,5) |
Details |
|
microsomal epoxide hydrolase
|
85(1,1,1,5) |
Details |
|
MT1
|
84(1,1,1,4) |
Details |
|
IL 5
|
83(1,1,1,3) |
Details |
|
HNF4
|
83(1,1,1,3) |
Details |
|
thyroxine binding globulin
|
82(1,1,1,2) |
Details |
|
protein is
|
82(1,1,1,2) |
Details |
|
O acetyltransferase
|
111(0,3,3,21) |
Details |
|
aryl sulfotransferase
|
77(0,2,2,17) |
Details |
|
cytochrome P450 2E1
|
70(0,2,2,10) |
Details |
|
BP 4
|
62(0,2,2,2) |
Details |
|
RA2
|
89(0,1,7,29) |
Details |
|
DP 2
|
61(0,1,6,6) |
Details |
|
hemoglobin (protein family or complex)
|
43(0,1,1,13) |
Details |
|
succinate dehydrogenase (protein family or complex)
|
42(0,1,1,12) |
Details |
|
thyroid hormone receptor (protein family or complex)
|
39(0,1,1,9) |
Details |
|
thyroid stimulating hormone (protein family or complex)
|
37(0,1,1,7) |
Details |
|
CYP3A
|
35(0,1,1,5) |
Details |
|
progesterone receptor
|
35(0,1,1,5) |
Details |
|
NA K ATPase
|
34(0,1,1,4) |
Details |
|
K12
|
33(0,1,1,3) |
Details |
|
muscles
|
33(0,1,1,3) |
Details |
|
HPRT
|
32(0,1,1,2) |
Details |
|
CG 2
|
32(0,1,1,2) |
Details |
|
Tyrosinase
|
32(0,1,1,2) |
Details |
|
ccr 2
|
32(0,1,1,2) |
Details |
|
CMAS
|
32(0,1,1,2) |
Details |
|
synapsin I
|
32(0,1,1,2) |
Details |
|
PCPH
|
31(0,1,1,1) |
Details |
|
glucose 6 phosphatases (protein family or complex)
|
31(0,1,1,1) |
Details |
|
Hsp70
|
27(0,0,2,17) |
Details |
|
HC5
|
18(0,0,2,8) |
Details |
|
transthyretin
|
16(0,0,0,16) |
Details |
|
cytokine receptor (protein family or complex)
|
14(0,0,2,4) |
Details |
|
APPI
|
14(0,0,2,4) |
Details |
|
immunoglobulin (protein family or complex)
|
13(0,0,1,8) |
Details |
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