HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 6436639Erstellt: 1. November 2026

beta-((4-Chlorphenyl)methylen)-alpha-1,1-dimethylethyl)-1H-1,2,4-triazol-1-ethanol

(s)-uniconazole · e-3-ol · LOMICA · SUMAGIC · Sumagaic · SUMISEVEN · (s)-s3307 · UNICONAZOLE-P

https://huagongshe.com/de/chemical/6436639

Molekülstruktur von beta-((4-Chlorphenyl)methylen)-alpha-1,1-dimethylethyl)-1H-1,2,4-triazol-1-ethanol

Identifikatoren & physikalische Daten

CAS No.	83657-17-4
Summenformel	C15H18ClN3O
Durchschnittliche Molmasse	291,77 g/mol
Monoisotopische Masse	291,1138399 g/mol
SMILES	CC(C)(C)[C@H](O)/C(=C\c1ccc(Cl)cc1)n1cncn1
InChIKey	YNWVFADWVLCOPU-MAUPQMMJSA-N
PubChem CID	6436639
ChEMBL	CHEMBL261837
ChEBI	CHEBI:81785
EC No.	617-481-3
DTXSID	DTXSID3035002
Lokaler Name	beta-((4-Chlorphenyl)methylen)-alpha-1,1-dimethylethyl)-1H-1,2,4-triazol-1-ethanol

Chemische & physikalische Eigenschaften

XLogP	3,6
Polarare Oberfläche (TPSA)	50,9
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	20
Formalladung	0
Komplexität	346
Schmelzpunkt	162~172℃
Siedepunkt	474.6±55.0 °C(Predicted)
Dichte	1.18±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	13.07±0.20(Predicted)
EPA chemische Informationen	Uniconazole-P (83657-17-4)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Uniconazole-P is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)1H-1,2,4-Triazole-1-ethanol, .beta.-((4-chlorophenyl)methylene)-.alpha.-(1,1-dimethylethyl)-, (S-(E))-: 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	Acute Tox. 4 (100%)
RAIS Toxicity Values	0.05OPP0.02
EPA Human Health Benchmarks for Pesticides	Uniconazole-P0.051000Females 13-49 yrs0.02
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Identifikatoren & physikalische Daten

CAS No.

83657-17-4

Summenformel

C15H18ClN3O

Durchschnittliche Molmasse

291,77 g/mol

Monoisotopische Masse

291,1138399 g/mol

SMILES

CC(C)(C)[C@H](O)/C(=C\c1ccc(Cl)cc1)n1cncn1

InChIKey

YNWVFADWVLCOPU-MAUPQMMJSA-N

PubChem CID

6436639

ChEMBL

CHEMBL261837

ChEBI

CHEBI:81785

EC No.

617-481-3

DTXSID

DTXSID3035002

Lokaler Name

beta-((4-Chlorphenyl)methylen)-alpha-1,1-dimethylethyl)-1H-1,2,4-triazol-1-ethanol

Chemische & physikalische Eigenschaften

XLogP

3,6

Polarare Oberfläche (TPSA)

50,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

346

Schmelzpunkt

162~172℃

Siedepunkt

474.6±55.0 °C(Predicted)

Dichte

1.18±0.1 g/cm3(Predicted)

pKa (Säurekonstante)

13.07±0.20(Predicted)

EPA chemische Informationen

Uniconazole-P (83657-17-4)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

Uniconazole-P is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)1H-1,2,4-Triazole-1-ethanol, .beta.-((4-chlorophenyl)methylene)-.alpha.-(1,1-dimethylethyl)-, (S-(E))-: 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

Acute Tox. 4 (100%)

RAIS Toxicity Values

0.05OPP0.02

EPA Human Health Benchmarks for Pesticides

Uniconazole-P0.051000Females 13-49 yrs0.02

Alarmwort

Warnung

Gefahrenhinweise

Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302