Grundinformationen
- Standard-SMILES
O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1- InChIKey
OGYFATSSENRIKG-UHFFFAOYSA-N- Summenformel
- C19H21ClN2O
- Durchschnittliche Molmasse
- 328,8 g/mol
- Monoisotopische Masse
- 328,13424097
Überblick
Pencycuron is a member of the class of phenylureas that is urea which is substituted by p-chlorobenzyl and cyclopentyl groups at position 1 and a phenyl group at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It is not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. It has a role as an antifungal agrochemical. It is a member of phenylureas and a member of monochlorobenzenes. It is functionally related to an aniline.
Namen und Bezeichner
- Bevorzugter Name
- Pencycuron
- IUPAC
- 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
- Lokaler Name
- 1-[(4-Chlorphenyl)methyl]-1-cyclopentyl-3-phenylharnstoff
- Englischer Name
- Pencycuron
- Summenformel
- C19H21ClN2O
- Molmasse
- 328.84
Namen und Synonyme
Pencycuron66063-05-6Monceren1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylureaN-((4-Chlorophenyl)methyl)-N-cyclopentyl-N'-phenylureaDTXSID30422611-(p-Chlorobenzyl)-1-cyclopentyl-3-phenylureaGCH2G449HPMONCERAEN 250SCNTN-19701CHEBI:7957Urea, N-((4-chlorophenyl)methyl)-N-cyclopentyl-N'-phenyl-
Weitere Namen anzeigen
Trotisntn19701NTN 5201pencycurnPencycuroneMONCEREN (TM)BAY NTN 19701Pencycuron-D5
DTXCID10222611-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenyl-ureaUrea, N-[(4-chlorophenyl)methyl]-N-cyclopentyl-N'-phenyl-1-((4-chlorophenyl)methyl)-1-cyclopentyl-3-phenyl-ureaN-[(4-Chlorophenyl)methyl]-N-cyclopentyl-N'-phenylureaRefChem:170766266-096-3Caswell No. 638A
Datenbank-Bezeichner
- CAS
66063-05-6- PubChem CID
- 91692
- DTXSID
DTXSID3042261- ChEMBL
CHEMBL2229452- ChEBI
CHEBI:7957- UNII
- GCH2G449HP
- EC Number
- 266-096-3
- Nikkaji
- J19.077B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 370
Experimentelle und physikochemische Eigenschaften
Pesticides
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Environmental transformation -> Pesticides (parent, predecessor)
Fungicides
Pesticide
LogP4.7
Collision Cross Section
180.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: Pesticides]
179.71 Ų [M+H]+ [CCS Type: TW]
Physikochemische Eigenschaften
- Schmelzpunkt
- 130 · 130~135℃
- Siedepunkt
- 528.5 · 528.5±42.0 °C(Predicted)
- Dichte
- 1.1257 · 1.1257 (rough estimate)
- Dampfdruck
- 5 x · 5 x 10-10 Pa (20 °C)
- Brechungsindex
- 1.579 · 1.5790 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
- Wasserlöslichkeit
- 0.3 mg · 0.3 mg l-1 (20 °C)
- pka
- 14.8 · 14.80±0.70(Predicted)
- Farbe
- White to Off-White
- BRN
- 2154416 · 2154416
- Henry's Law Constant
- 2 · 2.0×106 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
- InChIKey
- OGYFATSSENRIKG-UHFFFAOYSA-N
- SMILES
- Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1
- CAS Datenbank
- 66063 · 66063-05-6(CAS DataBase Reference)
- NIST chemische Informationen
- Pencycuron(66063-05-6)
- EPA chemische Informationen
- Pencycuron (66063-05-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 8.1% (3 of 37) of reports.
Warning
H400 (83.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 33/2008
Directive 91/414/EEC, Reg. (EU) 2018/1266, Reg. (EU) 2020/1643, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
REACH registered substance: 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea (EC: 266-096-3)
Pencycuron: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Aquatic Acute 1 (83.8%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN3002 (liquid phenylurea)
- RTECS-Nr.
- YS6440000
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Environmental transformation -> Pesticides (parent, predecessor)
Fungicides
Anwendungen
VerwendenPencycuron is used for the control of diseases caused by Rhizoctonia solani and Pellicularia spp. in potatoes, rice (sheath blight), cotton, sugar beet, vegetables, ornamentals and turf. It can be applied to foliage or by incorporation into the soil.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [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]
艾科试剂4008-755-333 18080918076 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
合肥合生生物科技有限公司0551-63802898 15395108618 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
河北克拉维尔生物科技有限公司19930503252 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
南京罗迈美生物科技有限公司[email protected]
山东辉璟生物医药科技有限公司15192151674 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
武汉华玖医药科技有限公司027-59225746 18062681621 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
湖北鑫鸣泰化学有限公司177-7179-1433 17771741533 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A member of the class of ureas carrying 4-chlorobenzyl and cyclopentyl substituents at position 1 and a phenyl substituent at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It i not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms.
Zugehörige Reaktionen
2
Verknüpfte Notizen
Wird geladen…