Pethoxamid

HCID 6450826

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Grundinformationen

CAS: 106700-29-2
Standard-SMILES: CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIKey: CSWIKHNSBZVWNQ-UHFFFAOYSA-N
Summenformel: C16H22ClNO2
Durchschnittliche Molmasse: 295,8 g/mol
Monoisotopische Masse: 295,13390662

Überblick

Pethoxamide is a monocarboxylic acid amide that is acetamide substituted by a chloro group at position 2 and a 2-ethoxyethyl and a 2-methyl-1-phenylprop-1-en-1-yl at the nitrogen atom. It is an agrochemical used as a herbicide. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is an ether, a monocarboxylic acid amide, an organochlorine compound and an olefinic compound.

Namen und Bezeichner

Bevorzugter Name: Pethoxamid
IUPAC: 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
Englischer Name: PETHOXAMID
Summenformel: C16H22ClNO2
Molmasse: 295.8

Namen und Synonyme

Pethoxamid106700-29-22-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide352ZYP854DDTXSID4057928RefChem:172120DTXCID9031696Pethoxamid [ISO]UNII-352ZYP854D2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-en-1-yl)acetamidepethoxamideAcetamide, 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl-1-propen-1-yl)-

Weitere Namen anzeigen

NSK-68tkc-94C16000500 Pethoxamidpethoxamid (bsi,pa iso)Paclobutrazol Impurity 7Pethoxamid@100 μg/mL in MethanolPethoxamid 10.0 μg/ml AcetonitrileN-(2-Ethoxyethyl)-N-(2-methyl-1-phenyl-1-propenyl)-2-chloroacetamide

PETHOXAMID [MI]SCHEMBL114497orb3135727CHEMBL2287834CHEBI:83523GEA70029MSK223882-Chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl-1-propenyl)acetamide

Datenbank-Bezeichner

CAS: 106700-29-2
PubChem CID: 6450826
DTXSID: DTXSID4057928
ChEMBL: CHEMBL2287834
ChEBI: CHEBI:83523
UNII: 352ZYP854D
EC Number: 600-765-6
Nikkaji: J440.077A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 7
Schwere Atome: 20
Formalladung: 0
Komplexität: 331

Experimentelle und physikochemische Eigenschaften

Pesticides · 4 Einträge

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

Herbicides

Environmental transformation -> Pesticides (parent, predecessor)

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Siedepunkt: 145 · 145-146 °C(Press: 0.17 Torr)
Dichte: 1.09 · 1.090±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -2.36 · -2.36±0.70(Predicted)
BRN: 4873772 · 4873772
Henry's Law Constant: 8.5 · 8.5×102 mol/(m3Pa) at 25℃, Maniere et al. (2011)
InChI: 1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3
InChIKey: CSWIKHNSBZVWNQ-UHFFFAOYSA-N
SMILES: CCOCCN(C(=O)CCl)C(=C(/C)C)\c1ccccc1
LogP: 1.208 · 1.208 (est)
EPA chemische Informationen: 2 · Acetamide, 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl-1-propen-1-yl)- (106700-29-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302: 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)

Warning

H302 (100%): 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)

Gefahrenhinweise

Regulatory Information · 3 Einträge

Commission Regulation No 844/2012

Pethoxamid is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

06/41/EC, Reg. (EU) No 1136/2013, Reg. (EU) No 2018/1264, Reg. (EU) No 540/2011, Reg. (EU) No 84/2018

Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

Toxikologische Informationen

RAIS Toxicity Values · 2 Einträge

0.17

OPP

EPA Human Health Benchmarks for Pesticides · 5 Einträge

Pethoxamid

0.17

1000

General Population

Human Health Benchmarks for Pesticides - 2021 Update

Sicherheitsdaten

wgk: 2
ridadr: UN 3077 9 / PGIII
risk_code: 22-43-50/53
hazard_code: Xn,N
safety_code: 24-37-46-60-61
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

Use Classification · 2 Einträge

Environmental transformation -> Pesticides (parent, predecessor)

Herbicides

Anwendungen

VerwendenPethoxamid is a preemergent herbicide.

Anbieter14 Anbieter

Syntechem Co.,Ltd[email protected]

上海毕楷科技有限公司18516304666

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A monocarboxylic acid amide that is acetamide substituted by a chloro group at position 2 and a 2-ethoxyethyl and a 2-methyl-1-phenylprop-1-en-1-yl at the nitrogen atom. It is an agrochemical used as a herbicide.