Basic information
- Standard SMILES
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1- InChIKey
XAIPTRIXGHTTNT-UHFFFAOYSA-N- Molecular formula
- C15H10ClF3N2O3
- Average molar mass
- 358.7 g/mol
- Monoisotopic mass
- 358.0332044
Names & identifiers
- Preferred name
- Triflumuron
- IUPAC
- 2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
- English name
- Triflumuron
- Molecular formula
- C15H10ClF3N2O3
- Molecular weight
- 358.7
Names & synonyms
Triflumuron64628-44-0TrifluronSIR 8514DTXSID50343552-Chloro-N-(((4-(trifluoromethoxy)phenyl)amino)carbonyl)benzamide3FT64DYG8K2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide1-(o-chlorobenzoyl)-3-(p-(trifluoromethoxy)phenyl)urea2-chloro-N-((4-(trifluoromethoxy)phenyl)carbamoyl)benzamideDTXCID3014355CHEBI:39388
Show more names
MascotOMS 2015BAYSIRAlystinsir8514BAY-8514BAYCIDALALSYSTINSTARYCIDE
2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide2-chloro-N-({[4-(trifluoromethoxy)phenyl]amino}carbonyl)benzamideBAY SIR 8514BAY-Sir-8514RefChem:1915681-(4-trifluoromethoxyphenyl)-3-(2-chlorobenzoyl)urea2-chloro-N-(4-(trifluoromethoxy)phenylaminocarbonyl)benzamide2-chloro-N-((((4-trifluoromethoxy)phenyl)amino)carbonyl)benzamide
Database identifiers
- CAS
64628-44-0- PubChem CID
- 47445
- DTXSID
DTXSID5034355- ChEMBL
CHEMBL1394379- ChEBI
CHEBI:39388- UNII
- 3FT64DYG8K
- EC Number
- 264-980-3
- Nikkaji
- J20.690C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Experimental & physicochemical properties
Collision Cross Section
179.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5034355]；186.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5034355]
169.88 Ų [M+H]+ [CCS Type: TW]
Physicochemical properties
- Melting point
- 198 ℃ · 198℃
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- storage temp.
- 0 · 0-6°C
- solubility
- Soluble in DMF
- pka
- 9.79 · 9.79±0.46(Predicted)
- form
- Solid
- color
- White to off-white
- Water Solubility
- 40 μg/L · 40μg/L at 20℃
- BRN
- 2776684 · 2776684
- Henry's Law Constant
- 1.1 · 1.1×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)
- InChIKey
- XAIPTRIXGHTTNT-UHFFFAOYSA-N
- SMILES
- FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1
- LogP
- 4.68 at · 4.68 at 25℃
- CAS DataBase Reference
- 64628 · 64628-44-0(CAS DataBase Reference)
- FDA UNII
- 3 FT64DYG8K · 3FT64DYG8K
- EPA Substance Registry System
- Triflumuron (64628-44-0)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330
- Precautionary statements
- 304 · P304+P340+P310
- PPE
- 95 · Eyeshields, Faceshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 2 · 2
- RTECS
- 2474000 · CV2474000
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 Inhalation · Acute Tox. 2 Inhalation
- Toxicity
- 50 in · LD50 in rats, mice (mg/kg): >5000, >5000 i.p., s.c., orally (Zoebelein)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H330 (56.5%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H400 (43.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (43.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P271, P273, P284, P304+P340, P316, P320, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Commission Regulation (EC) No 33/2008
2011/23/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33074
Triflumuron: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzamide, 2-chloro-N-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-: Environment tier I assessment；IMAP assessments - Benzamide, 2-chloro-N-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 2 (56.5%)；Aquatic Acute 1 (43.5%)；Aquatic Chronic 1 (43.5%)
Regulatory information
Regulatory Information
Commission Regulation (EC) No 33/2008
2011/23/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33074
Triflumuron: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- CV2474000
- Toxicity
- LD50 in rats, mice (mg/kg): >5000, >5000 i.p., s.c., orally (Zoebelein)
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 22-24/25
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H330
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 2 Inhalation
- Precautionary statements
- P304+P340+P310
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds that cause reproductive sterility in organisms. They are sometimes used to control pest populations by sterilizing males within the population.
Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
Applications
DescriptionTriflumuron, a benzoylphenyl urea compound, is an insect development inhibitor that inhibits the synthesis of chitin. It is formulated as an off-shears pour-on lousicide for control of the sheep body louse Bovicola ovis.
UsesA chitin biosynthesis inhibitor
UsesTriflumuron is a benzoylphenylurea insecticide. Triflumuron is a chitin synthesis inhibitor used to control insects pests such as mosquitos and flies.
UsesInsecticide (larvicide).
Upstream & downstream products
Upstream raw materials
Suppliers50 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京欣恒研科技有限公司010-56034419 13426091577
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
北京海岸鸿蒙标准物质技术有限责任公司13240431552 · [email protected]
上海毕楷科技有限公司18516304666
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
广州和为医药科技有限公司17612033329 17612033329
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
湖北猫尔沃生物医药有限公司[email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海西格生物科技有限公司021-57810052 18930344717 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
Additional notes
DefinitionChEBI: Triflumuron is a benzoylurea insecticide, a member of monochlorobenzenes, an organofluorine compound and an aromatic ether.
Related reactions
2 records
Linked notes
Loading…