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HCID 6436604Erstellt: 27. Oktober 2026

Uniconazole

UNICONAZOLE-P · s3307 · (e)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol · s07 · S-327 · s327d · Majic · m13144

https://huagongshe.com/de/chemical/6436604

Identifikatoren & physikalische Daten

CAS No.	83657-22-1
Summenformel	C15H18ClN3O
Durchschnittliche Molmasse	291,77 g/mol
Monoisotopische Masse	291,1138399 g/mol
SMILES	CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1)n1cncn1
InChIKey	YNWVFADWVLCOPU-MDWZMJQESA-N
PubChem CID	6436604
ChEMBL	CHEMBL138177
ChEBI	CHEBI:86428
EC No.	617-483-4
DTXSID	DTXSID7032505

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
Kovats Retention Index	21932175.4
Schmelzpunkt	150-160°C
Siedepunkt	474.6±55.0 °C(Predicted)
Dichte	1.18±0.1 g/cm3(Predicted)
Lagerbedingungen	0-6°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	13.07±0.20(Predicted)
Aggregatzustand	Solid
Farbe	White to Off-White
Hauptanwendungen	agricultureenvironmental
InChI	InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
InChIKey	YNWVFADWVLCOPU-JYRVWZFOSA-N
SMILES	C(/N1N=CN=C1)(\C(O)C(C)(C)C)=C\C1C=CC(=CC=1)Cl
CAS Datenbank	83657-22-1(CAS DataBase Reference)
NIST chemische Informationen	1H-1,2,4-triazole-1-ethanol, «beta»-((4-chlorophenyl)methylene)-«alpha»-(1,1-dimethylethyl)-,(e)-(.+/-.)-(83657-22-1)
EPA chemische Informationen	Uniconazole (83657-22-1)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29339900
R-Sätze (R)	22
Gefahrensymbole	Xn
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

CAS No.

83657-22-1

Summenformel

C15H18ClN3O

Durchschnittliche Molmasse

291,77 g/mol

Monoisotopische Masse

291,1138399 g/mol

SMILES

CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1)n1cncn1

InChIKey

YNWVFADWVLCOPU-MDWZMJQESA-N

PubChem CID

6436604

ChEMBL

CHEMBL138177

ChEBI

CHEBI:86428

EC No.

617-483-4

DTXSID

DTXSID7032505

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

Kovats Retention Index

21932175.4

Schmelzpunkt

150-160°C

Siedepunkt

474.6±55.0 °C(Predicted)

Dichte

1.18±0.1 g/cm3(Predicted)

Lagerbedingungen

0-6°C

Löslichkeit

Chloroform (Slightly), Methanol (Slightly)

pKa (Säurekonstante)

13.07±0.20(Predicted)

Aggregatzustand

Solid

Farbe

White to Off-White

Hauptanwendungen

agricultureenvironmental

InChI

InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+

InChIKey

YNWVFADWVLCOPU-JYRVWZFOSA-N

SMILES

C(/N1N=CN=C1)(\C(O)C(C)(C)C)=C\C1C=CC(=CC=1)Cl

CAS Datenbank

83657-22-1(CAS DataBase Reference)

NIST chemische Informationen

1H-1,2,4-triazole-1-ethanol, «beta»-((4-chlorophenyl)methylene)-«alpha»-(1,1-dimethylethyl)-,(e)-(.+/-.)-(83657-22-1)

EPA chemische Informationen

Uniconazole (83657-22-1)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

Acute Tox. 4 (100%)

Wassergefährdungsklasse (WGK)

Zollcode

29339900

R-Sätze (R)

Gefahrensymbole

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Acute Tox. 4 Oral