Synonyms
UNII 9V42E1Z7B6
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key GZUXJHMPEANEGY-UHFFFAOYSA-N
Smiles CBr
InChI
InChI=1S/CH3Br/c1-2/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula CH3Br
Molecular Weight 94.94
AlogP 0.99
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 2.0
Assay Description Organism Bioactivity Reference
Increase in plant height of Solanum lycopersicum (tomato) exposed to 400 kg/ha compound fumigation treatment measured 30 days after compound treatment (Rvb = 28.4 cm) Solanum lycopersicum 43.5 cm
Increase in plant height of Solanum lycopersicum (tomato) exposed to 400 kg/ha compound fumigation treatment measured 50 days after compound treatment (Rvb = 86.2 cm) Solanum lycopersicum 118.7 cm
Increase in plant height of Cucumis sativus (cucumber) exposed to 400 kg/ha compound fumigation treatment measured 30 days after compound treatment (Rvb = 85.6 cm) Cucumis sativus 108.6 cm
Increase in plant height of Cucumis sativus (cucumber) exposed to 400 kg/ha compound fumigation treatment measured 50 days after compound treatment (Rvb = 103.2 cm) Cucumis sativus 132.6 cm
Increase in marketable fruit yield in Zingiber officinale (ginger) plants at 400 kg/ha applied through fumigation protocol (Rvb = 48.2 ton/ha) Zingiber officinale 76.4 tons/ha
Increase in medium fruit yield in Zingiber officinale (ginger) plants at 400 kg/ha applied through fumigation protocol (Rvb = 24.6 ton/ha) Zingiber officinale 39.1 tons/ha
Increase in large fruit yield in Zingiber officinale (ginger) plants at 400 kg/ha applied through fumigation protocol (Rvb = 20.1 ton/ha) Zingiber officinale 28.7 tons/ha
Increase in extra-large fruit yield in Zingiber officinale (ginger) plants at 400 kg/ha applied through fumigation protocol (Rvb = 3.5 ton/ha) Zingiber officinale 8.6 tons/ha
Herbicidal activity against Capsella bursa-pastoris assessed as reduction in weed populations at 400 kg/ha Capsella bursa-pastoris None
Herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as reduction in weed populations at 400 kg/ha Digitaria sanguinalis None
Herbicidal activity against Stellaria media assessed as reduction in weed populations at 400 kg/ha Stellaria media None
Antimicrobial activity against Ralstonia solanacearum in ginger plants fields assessed as reduction in ginger blast-induced plant mortality at 400 kg/ha applied through fumigation protocol Ralstonia solanacearum None
Nematicidal activity against Meloidogyne incognita (root-knot nematode) in ginger crop fields assessed as root galling index at 400 kg/ha measured after 60 days post compound application (Rvb = 5.49 root galling index) Meloidogyne incognita 2.68
Nematicidal activity against Meloidogyne incognita (root-knot nematode) in ginger crop fields assessed as number of nematodes per 100 cm3 soil at 400 kg/ha measured after 60 days post compound application (Rvb = 88.2 nematodes in 100 cm3 soil) Meloidogyne incognita 47.4 /10'2cm3
Nematicidal activity against Meloidogyne incognita (root-knot nematode) in ginger crop fields assessed as number of nematodes per 100 cm3 soil at 400 kg/ha measured after 40 days post compound application (Rvb = 75.3 nematodes in 100 cm3 soil) Meloidogyne incognita 31.6 /10'2cm3
Nematicidal activity against Meloidogyne incognita (root-knot nematode) in ginger crop fields assessed as number of nematodes per 100 cm3 soil at 400 kg/ha measured after 20 days post compound application (Rvb = 56.7 nematodes in 100 cm3 soil) Meloidogyne incognita 22.3 /10'2cm3
Increase in stem diameter of Zingiber officinale (ginger) plants at 400 kg/ha applied through fumigation protocol (Rvb = 11.3 mm) Zingiber officinale 13.5 mm
Increase in plant height of Zingiber officinale (ginger) plants at 400 kg/ha applied through fumigation protocol (Rvb = 79.6 cm) Zingiber officinale 91.3 cm
Increase in crop yield in Cucumis sativus (cucumber) plants exposed to 400 kg/ha compound fumigation treatment assessed as marketable yield fruit yield (Rvb = 65.3 ton/ha) Cucumis sativus 101.9 tons/ha
Increase in crop yield in Solanum lycopersicum (tomato) plants exposed to 400 kg/ha compound fumigation treatment assessed as marketable yield fruit yield (Rvb = 51.3 ton/ha) Solanum lycopersicum 76.6 tons/ha
Increase in crop yield in Cucumis sativus (cucumber) plants exposed to 400 kg/ha compound fumigation treatment assessed as medium fruit yield (Rvb = 38.6 ton/ha) Cucumis sativus 55.3 tons/ha
Increase in crop yield in Solanum lycopersicum (tomato) plants exposed to 400 kg/ha compound fumigation treatment assessed as medium fruit yield (Rvb = 32.3 ton/ha) Solanum lycopersicum 46.6 tons/ha
Increase in crop yield in Cucumis sativus (cucumber) plants exposed to 400 kg/ha compound fumigation treatment assessed as large fruit yield (Rvb = 19.5 ton/ha) Cucumis sativus 32.3 tons/ha
Increase in crop yield in Solanum lycopersicum (tomato) plants exposed to 400 kg/ha compound fumigation treatment assessed as large fruit yield (Rvb = 15.2 ton/ha) Solanum lycopersicum 21.7 tons/ha
Increase in crop yield in Cucumis sativus (cucumber) plants exposed to 400 kg/ha compound fumigation treatment assessed as extra-large fruit yield (Rvb = 7.2 ton/ha) Cucumis sativus 14.3 tons/ha
Increase in crop yield in Solanum lycopersicum (tomato) plants exposed to 400 kg/ha compound fumigation treatment assessed as extra-large fruit yield (Rvb = 3.8 ton/ha) Solanum lycopersicum 8.3 tons/ha
Herbicidal activity against Arenaria serpyllifolia in cucumber plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot relative to untreated control Arenaria serpyllifolia 45.0 %
Herbicidal activity against Digitaria sanguinalis (hairy crabgrass) in cucumber plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot relative to untreated control Digitaria sanguinalis 45.0 %
Herbicidal activity against Arenaria serpyllifolia in tomato plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot relative to untreated control Arenaria serpyllifolia 45.0 %
Herbicidal activity against Capsella bursa-pastoris in cucumber plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot relative to untreated control Capsella bursa-pastoris 45.0 %
Herbicidal activity against Digitaria sanguinalis (hairy crabgrass) in tomato plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot relative to untreated control Digitaria sanguinalis 45.0 %
Herbicidal activity against Capsella bursa-pastoris in tomato plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot relative to untreated control Capsella bursa-pastoris 45.0 %
Herbicidal activity against Arenaria serpyllifolia in cucumber plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot (Rvb = 258.3 hr/ha) Arenaria serpyllifolia 41.9 hr/ha
Herbicidal activity against Digitaria sanguinalis (hairy crabgrass) in cucumber plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot (Rvb = 258.3 hr/ha) Digitaria sanguinalis 41.9 hr/ha
Herbicidal activity against Capsella bursa-pastoris in cucumber plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot (Rvb = 258.3 hr/ha) Capsella bursa-pastoris 41.9 hr/ha
Herbicidal activity against Arenaria serpyllifolia in tomato plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot (Rvb = 243.3 hr/ha) Arenaria serpyllifolia 35.2 hr/ha
Herbicidal activity against Digitaria sanguinalis (hairy crabgrass) in tomato plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot (Rvb = 243.3 hr/ha) Digitaria sanguinalis 35.2 hr/ha
Herbicidal activity against Capsella bursa-pastoris in tomato plants fields exposed to 400 kg/ha compound fumigation treatment assessed as hand weeding time per plot (Rvb = 243.3 hr/ha) Capsella bursa-pastoris 35.2 hr/ha
Fungicidal activity against Phytophthora melonis-induced blight disease in cucumber plants at 400 kg/ha measured 20 to 60 days post compound treatment Phytophthora melonis None
Fungicidal activity against Botryotinia fuckeliana-induced withering in tomato plants at 400 kg/ha measured 20 to 60 days post compound treatment Botryotinia fuckeliana None
Nematicidal activity against Meloidogyne incognita (root-knot nematode) in cucumber growing fields exposed to 400 kg/ha compound fumigation treatment assessed as root galling index measured 20 days after compound treatment (Rvb = 8.72 root galling index) Meloidogyne incognita 3.24
Nematicidal activity against Meloidogyne incognita (root-knot nematode) in tomato growing fields exposed to 400 kg/ha compound fumigation treatment assessed as root galling index measured 20 days after compound treatment (Rvb = 8.51 root galling index) Meloidogyne incognita 3.54
Insecticidal activity mites on flower bulbs Acari 100.0 mg/L.hr
Insecticidal activity against Frankliniella occidentalis (western flower thrips) larva and adults Frankliniella occidentalis 25.0 mg/L.hr
Insecticidal activity Myzus persicae (green peach aphid) on flower bulbs Myzus persicae 100.0 mg/L.hr
Insecticidal activity Thysanoptera (thrips) on flower bulbs Thysanoptera 100.0 mg/L.hr
Insecticidal activity against adult Sitophilus zeamais assessed as mortality after 24 hr by fumigation assay Sitophilus zeamais 0.67 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL48339
FDA SRS 9V42E1Z7B6
PDB BMM
PubChem 6323
SureChEMBL SCHEMBL1744