기본 정보
- 표준 SMILES
O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1- InChIKey
OGYFATSSENRIKG-UHFFFAOYSA-N- 분자식
- C19H21ClN2O
- 평균 분자량
- 328.8 g/mol
- 단동위원소 질량
- 328.13424097
개요
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.
이름 및 식별자
- 우선 이름
- Pencycuron
- IUPAC
- 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
- 현지명
- 펜시쿠론
- 영어명
- Pencycuron
- 분자식
- C19H21ClN2O
- 분자량
- 328.84
이름 및 동의어
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-
이름 더 보기
펜시쿠론펜시쿠론(PENCYCURON)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
데이터베이스 식별자
- CAS
66063-05-6- PubChem CID
- 91692
- DTXSID
DTXSID3042261- ChEMBL
CHEMBL2229452- ChEBI
CHEBI:7957- UNII
- GCH2G449HP
- EC Number
- 266-096-3
- Nikkaji
- J19.077B
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 32.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 370
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 130 · 130~135℃
- 끓는 점
- 528.5 · 528.5±42.0 °C(Predicted)
- 밀도
- 1.1257 · 1.1257 (rough estimate)
- 증기압
- 5 x · 5 x 10-10 Pa (20 °C)
- 굴절률
- 1.579 · 1.5790 (estimate)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
- 수용성
- 0.3 mg · 0.3mg l-1(20°C)
- 산도 계수 (pKa)
- 14.8 · 14.80±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- BRN
- 2154416 · 2154416
- Henry's Law Constant
- 2 · 2.0×106 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- 주요 응용
- 농업환경
- 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
- NIST
- Pencycuron(66063-05-6)
- EPA
- Pencycuron (66063-05-6)
안전 및 규제
GHS 분류
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]
유해성 정보
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
안전 데이터
- wgk
- 2
- rtecs
- YS6440000
- ridadr
- UN3002 (liquid phenylurea)
- 기존화학 물질
- KE-05549
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Environmental transformation -> Pesticides (parent, predecessor)
Fungicides
응용 분야
용도Pencycuron 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.
일반 설명Pencycuron is a non-systemic phenyl urea herbicide effective against pathogens such as Rhizoctonia solani and Pellicularia spp. Pencycuron acts by inhibiting cell division.
상·하류 제품 정보
상류 원료
공급사50 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
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Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
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추가 설명
정의ChEBI: 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.
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