Hexaconazole

HCID 66461CAS 79983-71-4
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Grundinformationen

Standard-SMILES
CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIKey
STMIIPIFODONDC-UHFFFAOYSA-N
Summenformel
C14H17Cl2N3O
Durchschnittliche Molmasse
314,2 g/mol
Monoisotopische Masse
313,07486752

Überblick

2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol is a member of the class of triazoles that is 1-hexyl-1H-1,2,4-triazole in which the hydrogens at position 2 of the hexyl chain are replaced by hydroxy and 2,4-dichlorophenyl groups. It has a role as a chelator. It is a dichlorobenzene, a tertiary alcohol and a member of triazoles.

Namen und Bezeichner

Bevorzugter Name
Hexaconazole
IUPAC
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
Englischer Name
Hexaconazole
Summenformel
C14H17Cl2N3O
Molmasse
314.21

Namen und Synonyme

Hexaconazole79983-71-4AnvilContafSitaraChlortriafolPP 523DTXSID4034653SX9R3X1FQVPLANETEDTXCID2014653PP-523
Weitere Namen anzeigen
HEXACONAZOL2-PADQZHEXACONZOLE(rs)-2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)hexan-2-olCanvilRanvil
PC-10021H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-dichlorophenyl)-R-154523RefChem:785919CHEBI:81766413-050-7Anvil L2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol

Datenbank-Bezeichner

CAS
79983-71-4
PubChem CID
66461
DTXSID
DTXSID4034653
ChEMBL
CHEMBL1898860
ChEBI
CHEBI:83711
UNII
SX9R3X1FQV
EC Number
413-050-7、616-763-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,7
Polarare Oberfläche (TPSA)
50,9 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
6
Schwere Atome
20

Experimentelle und physikochemische Eigenschaften

Pesticides · 5 Einträge

Pesticides

Fungicides

Active substance -> EU Pesticides database: Not approved

Environmental transformation -> Pesticides (parent, predecessor)

Pesticide (Hexaconazole) -> USDA PDB

LogP3.9
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 2 Einträge

187.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4034653]

171.26 Ų [M+H]+ [CCS Type: TW]

Physikochemische Eigenschaften

Schmelzpunkt
111 °C · 111°C
Siedepunkt
490.3 · 490.3±55.0 °C(Predicted)
Dichte
25 · d25 1.29
Dampfdruck
1.8 x · 1.8 x l0-6 Pa (20 °C)
Brechungsindex
1.549 · 1.5490 (estimate)
storage temp.
Inert atmosphere,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

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

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

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

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 4 Einträge

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

2006/797

Status: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4425

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

Hazard Classes and Categories · 6 Einträge

Acute Tox. 4 (100%)

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 5

Skin sensitization - Category 1B

Acute Tox. 4 *

Toxikologische Informationen

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values · 6 Einträge

0.0025

OPP

0.02

OPP

0.016

OPP

EPA Human Health Benchmarks for Pesticides · 6 Einträge

Hexaconazole

0.0025

71

Females 13-49 yrs

0.02

100

Sicherheitsdaten

wgk
2
ridadr
UN3077 9/PG 3
RTECS-Nr.
XZ4803200
risk_code
22-43-51/53
Toxizität
LD50 orally in mallard ducks, male rats, female rats: >4000, 2189, 6071 mg/kg; dermally in rats: >2000 mg/kg; LC50 (96 hour) in rainbow trout: >6.7 mg/l (Shephard)
hazard_code
Xn;N,N,Xn

Chemie und Industrie

Verwendung und Herstellung

UsesThis is a man-made compound that is used as a pesticide.
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
Anwendungen · 2 Einträge

BeschreibungHexaconazole is a broad-spectrum triazole fungicide that inhibits ergosterol biosynthesis via inhibition of the cytochrome P450-dependent 14α-demethylation of lanosterol, which results in disruption of the fungal cell membrane and cell death. It is fungicidal against the powdery mildews B. graminis and S. cucurbitae on cucumber plants in a concentration-dependent manner and is curative against powdery mildew on barley plants when used at a concentration of 6.7 mg/L. It also inhibits growth of R. bataticola and S. rolfsii (ED50s = 6.35 and 1.27 mg/L, respectively). Exogenous application of hexaconazole (15 mg/L) to M. chamomilla plants improves water, proline, and protein contents as well as increases non-enzymatic and enzymatic antioxidant and apigenin-7-glucoside content during a water deficit stress tolerance test. Hexaconazole inhibits the differentiation of mouse embryonic stem cells into cardiomyocytes (EC50 = 16.6 μM). It also induces bone morphological defects in mouse fetuses when administered to pregnant adult females during gestation.

VerwendenHexaconazole is a systematic fungicide of the triazole class. Hexaconazole has a broad spectrum antifungal activity and is commonly used in the control of apple, coffee and peanut diseases.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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