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HCID 15580Erstellt: 4. November 2026

Isobutyl-2,4-dichlorphenoxyacetat

2,4-D ISOBUTYL ESTER · 2,4-D isobutyl · isobutyl 2,4-d · C11943000 2,4-D-isobutyLester · 2,4-D-iso-butyl ester (technical) · sobutyl 2.4-dichlorophenoxyacetate · Isobutyl 2,4-dichlorophenoxyacetate · Isobutyl 2-(2,4-dichlorophenoxy)acetate

https://huagongshe.com/de/chemical/15580

Molekülstruktur von Isobutyl-2,4-dichlorphenoxyacetat

Identifikatoren & physikalische Daten

CAS No.	1713-15-1
Summenformel	C12H14Cl2O3
Durchschnittliche Molmasse	277,14 g/mol
Monoisotopische Masse	276,0319997 g/mol
SMILES	CC(C)COC(=O)COc1ccc(Cl)cc1Cl
InChIKey	GPSGZZSRFJXXBA-UHFFFAOYSA-N
PubChem CID	15580
ChEMBL	CHEMBL3186449
EC No.	216-992-5
DTXSID	DTXSID6041347
Lokaler Name	Isobutyl-2,4-dichlorphenoxyacetat

Chemische & physikalische Eigenschaften

XLogP	4,5
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	6
Schwere Atome	17
Formalladung	0
Komplexität	246
Collision Cross Section	172.2 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6041347]
Siedepunkt	133-134 °C(Press: 1 Torr)
Dichte	1.238±0.06 g/cm3(Predicted)
CAS Datenbank	1713-15-1(CAS DataBase Reference)
NIST chemische Informationen	Acetic acid, (2,4-dichlorophenoxy)-, 2-methylpropyl ester(1713-15-1)
EPA chemische Informationen	2,4-D isobutyl ester (1713-15-1)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 15% (3 of 20) of reports.WarningH302 (85%): 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)Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Weitere Sicherheitsinformationen	IMAP assessments - Acetic acid, (2,4-dichlorophenoxy)-, 2-methylpropyl ester: Environment tier I assessment
Hazard Classes and Categories	Acute Tox. 4 (85%)
UN-Transportnummer	3348
Gefahrenklasse	6.1(b)
Verpackungsgruppe	III

CAS No.

1713-15-1

Summenformel

C12H14Cl2O3

Durchschnittliche Molmasse

277,14 g/mol

Monoisotopische Masse

276,0319997 g/mol

SMILES

CC(C)COC(=O)COc1ccc(Cl)cc1Cl

InChIKey

GPSGZZSRFJXXBA-UHFFFAOYSA-N

PubChem CID

15580

ChEMBL

CHEMBL3186449

EC No.

216-992-5

DTXSID

DTXSID6041347

Lokaler Name

Isobutyl-2,4-dichlorphenoxyacetat

Chemische & physikalische Eigenschaften

XLogP

4,5

Polarare Oberfläche (TPSA)

35,5

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

246

Collision Cross Section

172.2 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6041347]

Siedepunkt

133-134 °C(Press: 1 Torr)

Dichte

1.238±0.06 g/cm3(Predicted)

CAS Datenbank

1713-15-1(CAS DataBase Reference)

NIST chemische Informationen

Acetic acid, (2,4-dichlorophenoxy)-, 2-methylpropyl ester(1713-15-1)

EPA chemische Informationen

2,4-D isobutyl ester (1713-15-1)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 15% (3 of 20) of reports.WarningH302 (85%): 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)Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Weitere Sicherheitsinformationen

IMAP assessments - Acetic acid, (2,4-dichlorophenoxy)-, 2-methylpropyl ester: Environment tier I assessment

Hazard Classes and Categories

Acute Tox. 4 (85%)

UN-Transportnummer

3348

Gefahrenklasse

6.1(b)

Verpackungsgruppe

III