Paclobutrazol

HCID 73671CAS 66346-05-2
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Grundinformationen

Standard-SMILES
CC(C)(C)[C@H](O)[C@H](Cc1ccc(Cl)cc1)n1cncn1
InChIKey
RMOGWMIKYWRTKW-KGLIPLIRSA-N
Summenformel
C15H20ClN3O
Durchschnittliche Molmasse
293,79 g/mol

Überblick

(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.

Namen und Bezeichner

Bevorzugter Name
Paclobutrazol
IUPAC
(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Englischer Name
Paclobutrazol
Summenformel
C15H20ClN3O
Molmasse
293.79

Namen und Synonyme

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-
Weitere Namen anzeigen
pp333(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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
50,9 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
5
Schwere Atome
20

Experimentelle und physikochemische Eigenschaften

Pesticides · 4 Einträge

Pesticide -> EPA IRIS

Plant Growth Regulators

Active substance -> EU Pesticides database: Approved

Pesticide (Paclobutrazol) -> USDA PDB

Ionization Efficiency · 6 Einträge

Positive

3.79

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section · 3 Einträge

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]-

Physikochemische Eigenschaften

Schmelzpunkt
165 · 165-166°C
Siedepunkt
460.9 · 460.9±55.0 °C(Predicted)
Dichte
1.22 · 1.22
storage temp.
0 · 0-6°C
Löslichkeit
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
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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)

Gefahrenhinweise

Regulatory Information · 4 Einträge

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 · 3 Einträge

Flam. Sol. 1 (50%)

Reproductive toxicity - category 2

Repr. 2

Toxikologische Informationen

Target OrgansHepatic
EPA IRIS Information · 3 Einträge

Paclobutrazol

Hepatic

1.3 x 10 ^-2 mg/kg-day

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

0.3

OPP

0.013

IRIS Current

EPA Human Health Benchmarks for Pesticides · 6 Einträge

Paclobutrazol

0.3

2000

Children

0.11

650

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

8.20e+02

1.10e+04

2.30e+02

2.00e+02

4.60e-01

1.30e-02

Sicherheitsdaten

wgk
3
ridadr
UN1325 4.1/PG 2
hs_code
29339900
RTECS-Nr.
XZ4803300
risk_code
22-21/22-11
hazard_code
Xn,F

Chemie und Industrie

Verwendung und Herstellung

UsesThis is a man-made compound that is used as a pesticide.
Anwendungen · 2 Einträge

BeschreibungPaclobutrazol (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.

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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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