(3,4-Dichlorphenoxy)essigsure

(3,4-Dichlorophenoxy)acetic acid

HCID 11495CAS 588-22-7

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Grundinformationen

Standard-SMILES: O=C(O)COc1ccc(Cl)c(Cl)c1
InChIKey: SNYRXHULAWEECU-UHFFFAOYSA-N
Summenformel: C8H6Cl2O3
Durchschnittliche Molmasse: 221,03 g/mol
Monoisotopische Masse: 219,96939941

Überblick

3,4-dichlorophenoxyacetic acid is a chlorophenoxyacetic acid that is phenoxyacetic acid in which the hydrogens at positions 3 and 4 of the phenyl group are replaced by chlorines. It has a role as a phenoxy herbicide.

Namen und Bezeichner

Bevorzugter Name: (3,4-Dichlorophenoxy)acetic acid
IUPAC: 2-(3,4-dichlorophenoxy)acetic acid
Lokaler Name: (3,4-Dichlorphenoxy)essigsure
Englischer Name: 3,4-D
Summenformel: C8H6Cl2O3
Molmasse: 221.04

Namen und Synonyme

2-(3,4-dichlorophenoxy)acetic acid3,4-Dichlorophenoxyacetic acid588-22-7(3,4-Dichlorophenoxy)acetic acid3,4-DAZT6YT42EV4NSC-39017NSC-525057CHEBI:393747DTXSID70207524RefChem:91037DTXCID20130015

Weitere Namen anzeigen

3,4-d (iso)3,4-D solutionLABOTEST-BB LT00233086Adrenaline Impurity 70(3,4-dichlorophenoxy)-aceticaci2-(3,4-dichlorophenoxy)ethanoic acid

209-612-43,4-DMFCD00004303NSC 39017Acetic acid, (3,4-dichlorophenoxy)-NSC 5250572-(3,4-dichlorophenoxy)aceticacidAcetic acid, 2-(3,4-dichlorophenoxy)-

Datenbank-Bezeichner

CAS: 588-22-7
PubChem CID: 11495
DTXSID: DTXSID70207524
ChEMBL: CHEMBL175414
ChEBI: CHEBI:393747
UNII: ZT6YT42EV4
EC Number: 209-612-4
Nikkaji: J6.747D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 186

Experimentelle und physikochemische Eigenschaften

LogP2.81

Physikochemische Eigenschaften

Schmelzpunkt: 138 · 138-140 °C(lit.)
Siedepunkt: 316.96 °C · 316.96°C (rough estimate)
Dichte: 1.4564 · 1.4564 (rough estimate)
Brechungsindex: 1.5 · 1.5000 (estimate)
Flammpunkt: 2 °C · 2 °C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
pka: 2.99 · 2.99±0.10(Predicted)
Farbe: White
Wasserlöslichkeit: 457.6 mg/L · 457.6mg/L(25 ºC)
InChI: 1S/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey: SNYRXHULAWEECU-UHFFFAOYSA-N
SMILES: OC(=O)COc1ccc(Cl)c(Cl)c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (15.2%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 2918999090
RTECS-Nr.: AG6830000
risk_code: 36/37/38-36-20/21/22-11
hazard_code: Xi,Xn,F
safety_code: 26-37/39-36-16
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3,4-Dichlorophenoxyacetic acid was used in the synthesis of layered organic-inorganic nanohybrid material, zinc-aluminum-3,4-dicholorophenoxyacetate.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

上海康恩博医药科技有限公司17510465506 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

Aladdin Scientific[email protected]

Ergänzende Hinweise

DefinitionChEBI: A chlorophenoxyacetic acid that is phenoxyacetic acid in which the hydrogens at positions 3 and 4 of the phenyl group are replaced by chlorines.