Pefurazoate

HCID 93532CAS 101903-30-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=CCCCOC(=O)C(CC)N(Cc1ccco1)C(=O)n1ccnc1
InChIKey
WBTYBAGIHOISOQ-UHFFFAOYSA-N
분자식
C18H23N3O4
평균 분자량
345.4 g/mol
단동위원소 질량
345.16885622

개요

Pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate is a carboxylic ester obtained by formal condensation of the carboxy group of 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoic acid with the hydroxy group of pent-4-en-1-ol. It is a member of furans, a carboxylic ester, a N-acylimidazole and an olefinic compound.

이름 및 식별자

우선 이름
Pefurazoate
IUPAC
pent-4-enyl 2-[furan-2-ylmethyl(imidazole-1-carbonyl)amino]butanoate
영어명
Pefurazoate
분자식
C18H23N3O4
분자량
345.39

이름 및 동의어

Pefurazoate101903-30-4HealthiedUHF-8615Pefurazoate [ISO:BSI]UR 003VX45582AWMPEFURAZOATE [MI]PEFURAZOATE [ISO]UR-00034-Pentenyl 2-((2-furanylmethyl)(1H-imidazol-1-ylcarbonyl)amino)butanoateDTXSID4057920
이름 더 보기
UR 0003UHF 8615Pefurazoate Standard4-pentenyl-N-furfuryl-N-imidazol-1-ylcarbonyl-DL-homoalaninatepent-4-enyl 2-(2-furylmethyl-(imidazole-1-carbonyl)amino)butanoate2-[Furfuryl(1H-imidazole-1-ylcarbonyl)amino]butanoic acid 4-pentenyl esterpent-4-en-1-yl 2-{[(furan-2-yl)methyl](1H-imidazole-1-carbonyl)a mino}butanoate2-[(2-Furanylmethyl)[(1H-imidazol-1-yl)carbonyl]amino]butanoic acid 4-pentenyl esterButanoic acid, 2-[(2-furanylmethyl)(1H-imidazol-1-ylcarbonyl)amino]-, 4-penten-1-yl ester
Pent-4-enyl N-furfuryl-N-imidazol-1-ylcarbonyl-DL-homoalaninate (IUPAC)Butanoic acid, 2-((2-furanylmethyl)(1H-imidazol-1-ylcarbonyl)amino)-, 4-pentenyl esterBUTANOIC ACID, 2-((2-FURANYLMETHYL)(1H-IMIDAZOL-1-YLCARBONYL)AMINO)-, 4-PENTEN-1-YL ESTERrac-pefurazoaterac-pent-4-en-1-yl 2-((2-furylmethyl)(1H-imidazol-1-ylcarbonyl)amino)butanoaterac-pent-4-en-1-yl 2-[(2-furylmethyl)(1H-imidazol-1-ylcarbonyl)amino]butanoateracemic pefurazoate(RS)-pefurazoate

데이터베이스 식별자

CAS
101903-30-4
PubChem CID
93532
DTXSID
DTXSID4057920
ChEMBL
CHEMBL2286350
ChEBI
CHEBI:83845
UNII
VX45582AWM
EC Number
600-245-9
Nikkaji
J327.335K

물성

구조 계산 물성

XLogP
2.8
극성 표면적
77.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
10
무거운 원자 수
25

실험 및 물리화학적 성질

Pesticides · 2건

Fungicides

Active substance -> EU Pesticides database: Not approved

LogP3.0

물리화학적 성질

녹는점
25 °C · 25°C
끓는 점
480.31 °C · 480.31°C (rough estimate)
밀도
420 · d420 1.152
증기압
0.648 x · 0.648 x l0-4 Pa (23 °C)
굴절률
24.4 · nD24.4 1.5140
산도 계수 (pKa)
3.8 · 3.8 (base)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P317, P308+P316, P318, P319, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 31 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

독성
LD50 in male, female rats, male, female mice (mg/kg): 981, 1051, 1299, 946 orally; in rats (mg/kg): >2000 dermally; LC50 in rats (mg/m3): >3450 by inhalation; LC50 (48 hr) in carp, rainbow trout, bluegill sunfish (ppm): 16.9, 4.0, 12.0 (Takenaka, 1990)

화학 및 산업

응용 분야 · 1건

용도Pefurazoate is used to control seed-borne fungal diseases, particularly Fusuriurn monuliniforme (Bakanae disease), Pyriculuriu ovyzae (rice blast) and Cuchliobolus rniyubeunus (brown spot) on rice plants. It also controls rice seedling blight caused by soil-borne pathogens (Trichoderme viride and Fusurium spp.) in nursery box cultivation, and other fungal pathogens on seeds of wheat, barley and flower bulbs.

상·하류 제품 정보

상류 원료

공급사10 곳

湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海泰坦科技股份有限公司18616708014 · [email protected]

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

연결된 노트

불러오는 중…