1,3-dichloropropene

Identification (Source:EPA,EU)

ID 1683
Name 1,3-dichloropropene
CAS 542-75-6
IUPAC
Inchi InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2
CIPAC 675/676
EPA Code 029001
Formula C3H4Cl2
SMILES Cl[C@H]=CCCl
Status Not Approved

Classification

Mode of Action Soil fumigant that penetrates into the nematodes via mouth and cuticle
Pesticide Type Nematicide
Chemical Group Halogenated hydrocarbon (isomer mix)
Classification unclassified nematicides

Properties (Source:PubChem)

Molecular Weight 110.97
Physical State Colourless, volatile liquid
AlogP 1.518
H-Bond Donor 0
H-Bond Acceptor 0
Surface Area 104.42
Polar Surface Area 0.0

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Chronic 96 hour NOEC, growth 0.6 mg l-1
Algae Acute 72 hour EC50, growth 2.35 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.79 mg l-1
Aquatic invertebrates Acute 48 hour EC50 3.6 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.071 mg l-1
Aquatic plants Acute 7 day EC50, biomass 14.6 mg l-1
Birds Acute LD50 140 mg kg-1
Birds Short term dietary LC50/LD50 > 1264 mg/kg bw/day
Earthworms Chronic 14 day NOEC, reproduction 770 mg kg-1
Earthworms Acute 14 day LD50 55.6 mg kg-1
Fish Acute 96 hour LC50 2.78 mg l-1
Fish Chronic 21 day NOEC 0.032 mg l-1
Honeybees Acute 48 hour LD50 6.6 μg bee-1
Mammals Acute oral LD50 110 mg kg-1
Mammals Short term dietary NOEL 5 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 1.08 mg l-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 4.6

Related targets

Target Name RScore (About this table)
cis 3 90(1,1,1,10) Details
cytochrome P450 (protein family or complex) 83(1,1,1,3) Details
C35 98(0,2,7,13) Details
Pro 1 50(0,1,1,20) Details
N acetylglucosaminidase 32(0,1,1,2) Details
DCP 2 31(0,1,1,1) Details
cysteine conjugate beta lyase 31(0,1,1,1) Details
gamma glutamyl transferase 31(0,1,1,1) Details
MC 2 31(0,1,1,1) Details
cis 1 12(0,0,2,2) Details
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