파클로부트라졸

Paclobutrazol

HCID 73671CAS 66346-05-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(C)[C@H](O)[C@H](Cc1ccc(Cl)cc1)n1cncn1
InChIKey
RMOGWMIKYWRTKW-KGLIPLIRSA-N
분자식
C15H20ClN3O
평균 분자량
293.79 g/mol

개요

(S,S)-paclobutrazol is a 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol in which both stereocentres have S configuration. It is an enantiomer of a (R,R)-paclobutrazol.

이름 및 식별자

우선 이름
Paclobutrazol
IUPAC
(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
현지명
파클로부트라졸
영어명
Paclobutrazol
분자식
C15H20ClN3O
분자량
293.79

이름 및 동의어

PaclobutrazolBonzi76738-62-0FriazoleClipper 50WP6PLV42R3ZATrimmitCultarParlay(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-olDTXSID20242421H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (alphaR,betaR)-rel-
이름 더 보기
(R*,R*)-(±)-β-[(4-클로로페닐)메틸]-α-(1,1-디메틸에틸)-1H-1,2,4-트리아졸-1-에탄올파크로부트라졸파클로부트라졸pp333(2S,3S)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-olBONZI(R)duoxiaozuo1-tert-Butyl-2-(p-chlorobenzyl)-2-(1,2,4-triazol-1-yl)ethanolCulterSmarect
DTXCID50196503RefChem:858277CHEBI:73162616-379-6paclobutrazol (ISO); (2RS,3RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-olCaswell No. 628C66346-05-2

데이터베이스 식별자

CAS
66346-05-2、76738-62-0
PubChem CID
73671
DTXSID
DTXSID2024242
ChEMBL
CHEMBL1897373
ChEBI
CHEBI:139344
UNII
3EF5QC8G5W、6PLV42R3ZA
EC Number
616-379-6、927-876-5
Nikkaji
J646.519F

물성

구조 계산 물성

XLogP
3.2
극성 표면적
50.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
20

실험 및 물리화학적 성질

Pesticides · 4건

Pesticide -> EPA IRIS

Plant Growth Regulators

Active substance -> EU Pesticides database: Approved

Pesticide (Paclobutrazol) -> USDA PDB

Ionization Efficiency · 6건

Positive

3.79

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section · 3건

171.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2024242]

168.73 Ų [M+H]+ [CCS Type: TW]

177.82 Ų [M+Cl]-

물리화학적 성질

녹는점
165 · 165-166°C
끓는 점
460.9 · 460.9±55.0 °C(Predicted)
밀도
1.22 · 1.22
저장 조건
0 · 0-6°C
용해도
10 mg/ml,DMSO: · DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: 10 mg/ml,Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
물리적 상태
Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P317, P318, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)

Danger

H228 (50%): Flammable solid [Danger Flammable solids]

P203, P210, P240, P241, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Commission Regulation (EC) No 33/2008

Paclobutrazol is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

2011/55/EU, Reg. (EU) 2018/155, Reg. (EU) 2023/918, Reg. (EU) 2026/1421, Reg. (EU) No 2018/1266, Reg. (EU) No 540/2011

Paclobutrazol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1H-1,2,4-Triazole-1-ethanol, .beta.-[(4-chlorophenyl)methyl]-.alpha.-(1,1-dimethylethyl)-, (R*,R*)-(.+-.)-: Environment tier I assessment
Hazard Classes and Categories · 3건

Flam. Sol. 1 (50%)

Reproductive toxicity - category 2

Repr. 2

독성 정보

Target OrgansHepatic
EPA IRIS Information · 3건

Paclobutrazol

Hepatic

1.3 x 10 ^-2 mg/kg-day

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values · 4건

0.3

OPP

0.013

IRIS Current

EPA Human Health Benchmarks for Pesticides · 6건

Paclobutrazol

0.3

2000

Children

0.11

650

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

8.20e+02

1.10e+04

2.30e+02

2.00e+02

4.60e-01

1.30e-02

안전 데이터

wgk
3
rtecs
XZ4803300
ridadr
UN1325 4.1/PG 2
HS 번호
29339900
risk_code
22-21/22-11
hazard_code
Xn,F

화학 및 산업

용도 및 제조

UsesThis is a man-made compound that is used as a pesticide.
응용 분야 · 2건

개요Paclobutrazol (PBZ) is a triazole-containing plant growth retardant that is known to inhibit the biosynthesis of gibberellins. It also has antifungal activities. PBZ, which is transported acropetally in plants, can also suppress the synthesis of abscisic acid and induce chilling tolerance in plants. PBZ is typically used to support research on the role of gibberellins in plant biology.

용도Paclobutrazol is a triazole fungicide used as an plant growth retardant in inhibiting gibberellin biosynthesis.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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