Pretilachlor

HCID 91644CAS 51218-49-6

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Grundinformationen

Standard-SMILES: CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
InChIKey: YLPGTOIOYRQOHV-UHFFFAOYSA-N
Summenformel: C17H26ClNO2
Durchschnittliche Molmasse: 311,8 g/mol
Monoisotopische Masse: 311,16520675

Überblick

Pretilachlor is an anilide.

Namen und Bezeichner

Bevorzugter Name: Pretilachlor
IUPAC: 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
Englischer Name: Pretilachlor
Summenformel: C17H26ClNO2
Molmasse: 311.85

Namen und Synonyme

Pretilachlor51218-49-62-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamideRifit2-Chloro-2',6'-diethyl-N-(2-propoxyethyl)acetanilideDTXSID8058112617K7LM10DRefChem:175947DTXCID1031880SolnetAcetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)-Rifit 500

Weitere Namen anzeigen

Azoxystrobin technicalretilachlorSOFITcg113C14517cga26423

MFCD00161476n-propoxyethyl-n-chloroacetyl-2,6-diethylanilinePretilachloreCHEBI:34931Pretilachlor [BSI:ISO]Pretilachlore [ISO-French]CG 113Pretilachlor [ISO]

Datenbank-Bezeichner

CAS: 51218-49-6
PubChem CID: 91644
DTXSID: DTXSID8058112
ChEMBL: CHEMBL1867271
ChEBI: CHEBI:34931
UNII: 617K7LM10D
EC Number: 610-630-3
Nikkaji: J1.899F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 9
Schwere Atome: 21
Formalladung: 0
Komplexität: 287

Experimentelle und physikochemische Eigenschaften

Pesticides · 3 Einträge

Herbicides

Active substance -> EU Pesticides database: Not approved

Pesticide (Pretilachlor) -> USDA PDB

LogP4.08

Collision Cross Section147.9 Å² [M-2H+Na]-

Physikochemische Eigenschaften

Schmelzpunkt: 25 °C · 25°C
Siedepunkt: 0.001 · bp0.001 135°
Dichte: 1.0521 · 1.0521 (rough estimate)
Brechungsindex: 20 · nD20 1.5204
storage temp.: 2 · Inert atmosphere,2-8°C
Wasserlöslichkeit: Insoluble in water
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 1.41 · 1.41±0.50(Predicted)
Aggregatzustand: Liquid (Density: 1.074±0.06 g/cm3)
Wichte: 1.076 · 1.076 (20℃)
Farbe: Light yellow to Brown
Merck: 14 · 14,7740
BRN: 2754162 · 2754162
Henry's Law Constant: 4.5 · 4.5×103 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Major Application: agricultureenvironmental
InChI: 1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
InChIKey: YLPGTOIOYRQOHV-UHFFFAOYSA-N
SMILES: CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
CAS Datenbank: 51218 · 51218-49-6(CAS DataBase Reference)
NIST chemische Informationen: Pretilachlor(51218-49-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H315 (58.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P316, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 70 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

Gefahrenhinweise

Regulatory Information2004/129/EC

Hazard Classes and Categories · 3 Einträge

Skin Irrit. 2 (58.6%)

Acute toxicity (Oral) - Category 5

Skin corrosion/irritation - Category 2

Sicherheitsdaten

wgk: 2
ridadr: UN 3082 9/PG 3
hs_code: 29242990
RTECS-Nr.: AB5427000
risk_code: 38-50/53
Toxizität: LD50 in rats (mg/kg): 6099 orally; >3100 dermally (Rufener, Quadranti); LC50 in rainbow trout, carp, catfish: 3.0, 3.0, 2.6 ppm (Vogel, Aebi)
hazard_code: Xi;N,N,Xi
safety_code: 60-61
hazard_class: 9
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 InhalationSkin Irrit. 2