Basic information
- CAS
82692-44-2- Standard SMILES
Cc1ccc(C(=O)COc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1- InChIKey
JDWQITFHZOBBFE-UHFFFAOYSA-N- Molecular formula
- C22H20Cl2N2O3
- Average molar mass
- 431.3 g/mol
- Monoisotopic mass
- 430.0850979
Overview
Benzofenap is a member of acetophenones. It has a role as a carotenoid biosynthesis inhibitor.
Names & identifiers
- Preferred name
- Benzofenap
- IUPAC
- 2-[4-(2,4-dichloro-3-methylbenzoyl)-1,3-dimethylpyrazol-5-yl]oxy-1-(4-methylphenyl)ethanone
- English name
- Benzofenap
- Molecular formula
- C22H20Cl2N2O3
- Molecular weight
- 431.31
Names & synonyms
Benzofenap82692-44-2WC7DBL9WD62-(4-(2,4-Dichloro-m-toluoyl)-1,3-dimethylpyrazol-5-yloxy)-4'-methylacetophenoneDTXSID50581932-[4-(2,4-dichloro-m-toluoyl)-1,3-dimethylpyrazol-5-yloxy]-4'-methylacetophenone2-((4-((2,4-dichloro-3-methylphenyl)carbonyl)-1,3-dimethyl-1H-pyrazol-5-yl)oxy)-1-(4-methylphenyl)ethan-1-one2-({4-[(2,4-dichloro-3-methylphenyl)carbonyl]-1,3-dimethyl-1H-pyrazol-5-yl}oxy)-1-(4-methylphenyl)ethan-1-oneRefChem:118277DTXCID1031961617-376-2Yukawide
Show more names
MY 98Benzofenap 1Benzofenap solutionC10537400 Benzofenap)-1-(4-methylphenyl)-Benzofenap (Standard)
Benzofenap [ISO]2-[4-(2,4-dichloro-3-methylbenzoyl)-2,5-dimethylpyrazol-3-yl]oxy-1-(4-methylphenyl)ethanoneEthanone, 2-((4-(2,4-dichloro-3-methylbenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)oxy)-1-(4-methylphenyl)-MY-71UNII-WC7DBL9WD6SCHEMBL55547orb1698171orb3025872
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 597
Experimental & physicochemical properties
LogP
4.69
4.69
Solubility0.00013 mg/mL at 25 °C
Melting Point133.1 - 133.5 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 133 ℃ · 133℃
- Boiling point
- 142.4 °C · 142.4°C (rough estimate)
- Density
- 1.29 · 1.29
- refractive index
- 1.62 · 1.6200 (estimate)
- Flash point
- 2 ℃ · 2℃
- storage temp.
- 0 · 0-6°C
- Water Solubility
- 130.3 ug/L · 130.3ug/L(temperature not stated)
- BRN
- 11341296 · 11341296
- FDA UNII
- 7 DBL9WD6 · WC7DBL9WD6
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H332 (97.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P271, P273, P304+P340, P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H316: Causes mild skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (97.4%)
Skin corrosion/irritation - Category 3
Safety data
- wgk
- 2
- ridadr
- UN 1648 3 / PGII
- risk_code
- 11-20/21/22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-36/37
- Hazard statements
- H225-H302-H319-H332
- Precautionary statements
- P210-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
DescriptionBenzofenap is a herbicide used mainly to control broadleaved weeds in water-seeded rice. It has a low aqueous solubility, is not volatile and is moderately persistent in soil systems with a low risk of leaching to groundwater. Benzofenap tends to have a low to moderate toxicity to biodiversity. Its toxicity to mammals including humans is low if ingested. It is also a skin irritant.
UsesBenzofenap is a 4-benzoylpyrazole molecule used for the selective control of annual and some perennial broadleaf weeds (especially Sagitaria spp.) in rice in Japan (as Yukawide) (31) and other countries such as Australia (as Taipan) (32). Mixtures with bromobutide, pretilachlor, pyributicarb, ormonilate are used to complete its spectrum.
Suppliers20 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…