CAS 67306-00-7 Fenpropidin (HCID 91694)

Überblick

1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine is a member of the class of piperidines that is N-isobutylpiperidine in which a hydrogen of one of the methyl groups is replaced by a p-tert-butylphenyl group. It is a member of piperidines and a tertiary amine.

Namen und Bezeichner

Bevorzugter Name: Fenpropidin
IUPAC: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
Lokaler Name: 1-(3-(4-(1,1-Dimethylethyl)phe-nyl)-2-methylpropyl)piperidin
Englischer Name: Fenpropidin
Summenformel: C19H31N
Molmasse: 273.46

Namen und Synonyme

Fenpropidin67306-00-7PatrolFenpropidine1-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)piperidineRo 12-3049DTXSID9058157845XW54F31Piperidine, 1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]piperidinePiperidine, 1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-1-(2-((4-tert-butylphenyl)methyl)propyl)piperidine

Weitere Namen anzeigen

TERNSPONSORCOLUMBIAro12-3049cga114900FenproidinBrn 1245248

1-{2-[(4-tert-butylphenyl)methyl]propyl}piperidineRefChem:140199DTXCID5031925CHEBI:819171-(2-methyl-3-(4-(2-methyl-2-propanyl)phenyl)propyl)piperidine1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine1-(3-(4-tert-Butylphenyl)-2-methylpropyl)piperidine1-(3-(4-(tert-butyl)phenyl)-2-methylpropyl)piperidine

Datenbank-Bezeichner

CAS: 67306-00-7
PubChem CID: 91694
DTXSID: DTXSID9058157
ChEMBL: CHEMBL1889041
ChEBI: CHEBI:83291
UNII: 845XW54F31
EC Number: 614-049-6
Nikkaji: J18.832H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,5
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 5
Schwere Atome: 20
Formalladung: 0
Komplexität: 264

Experimentelle und physikochemische Eigenschaften

Pesticides · 5 Einträge

Fungicides

Active substance -> EU Pesticides database: Approved

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

Pesticide (Fenpropidin) -> USDA PDB

Human DrugsPharmaceuticals

Collision Cross Section166.39 Å² [M+H]+ [CCS Type: TW]

Physikochemische Eigenschaften

Schmelzpunkt: 25 °C · 25°C
Siedepunkt: 0.2 · bp0.2 117°; bp0.045 125°; bp0.032 104°
Dichte: 0.9112 · 0.9112 (rough estimate)
Dampfdruck: 1.7 x · 1.7 x 10-2 Pa (25 °C)
Brechungsindex: 1.49 · 1.4900 (estimate)
storage temp.: Refrigerator
Löslichkeit: Chloroform, Ethyl Acetate (Slightly)
Aggregatzustand: Liquid
pka: 10.1 · 10.1
Wasserlöslichkeit: 530 mg · 530 mg l-1 (pH 7 at 25 °C)
Farbe: Clear Colourless
Merck: 13 · 13,4020
BRN: 5336091 · 5336091
Henry's Law Constant: 7.1 · 7.1×102 mol/(m3Pa) at 25℃, Feigenbrugel and Calvé (2021)
Major Application: agricultureenvironmental
InChI: 1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChIKey: MGNFYQILYYYUBS-UHFFFAOYSA-N
SMILES: CC(CN1CCCCC1)Cc2ccc(cc2)C(C)(C)C
CAS Datenbank: 67306 · 67306-00-7
NIST chemische Informationen: Fenpropidin(67306-00-7)
EPA chemische Informationen: 1 · Piperidine, 1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]- (67306-00-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

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

P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H302+H332 (26.6%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 4 Einträge

Commission Regulation (EC) No 1490/2002

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

2008/66, Reg. (EU) 2018/1796, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011

Fenpropidin: 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 · 2 Einträge

Acute Tox. 4 (100%)

Repr. 2

Toxikologische Informationen

RAIS Toxicity Values · 4 Einträge

0.07

OPP

0.023

OPP

EPA Human Health Benchmarks for Pesticides · 6 Einträge

Fenpropidin

0.07

500

Children

0.023

140

Sicherheitsdaten

wgk: 3
ridadr: 2902
hs_code: 29333990
RTECS-Nr.: TM7292000
risk_code: 21/22-36
hazard_code: Xn
safety_code: 26-36/37
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1BSTOT RE 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.

Verwendung und Herstellung

Use Classification · 3 Einträge

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

Pharmaceuticals

Anwendungen

Beschreibungfenpropidine, a piperidine derivative, and spiroxamine, a dioxolanemethyleneamine derivative introduced in 1996 , belong to the same group of fungicides.

VerwendenFenpropidin is both a contact and a systemic fungicide which provides effective eradicant control of powdery mildew, rusts and leaf blotch in cereal.

Anbieter52 Anbieter

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of piperidines that is N-isobutylpiperidine in which a hydrogen of one of the methyl groups is replaced by a p-tert-butylphenyl group.