2-Chlor-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamid

Metazachlor

HCID 49384CAS 67129-08-2

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Grundinformationen

Standard-SMILES: Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl
InChIKey: STEPQTYSZVCJPV-UHFFFAOYSA-N
Summenformel: C14H16ClN3O
Durchschnittliche Molmasse: 277,75 g/mol
Monoisotopische Masse: 277,09818981

Überblick

Metazachlor is an organochlorine compound that is 2-chloroacetamide substituted by a 2,6-dimethylphenyl and a (1H-pyrazol-1-ylmethyl) group at the nitrogen atom. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a member of pyrazoles, an organochlorine compound and an aromatic amide.

Namen und Bezeichner

Bevorzugter Name: Metazachlor
IUPAC: 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
Lokaler Name: 2-Chlor-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamid
Englischer Name: Metazachlor
Summenformel: C14H16ClN3O
Molmasse: 277.75

Namen und Synonyme

METAZACHLOR67129-08-22-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide2-Chloro-N-(pyrazol-1-ylmethyl)acet-2',6'-xylidideTPY2K437O4CHEBI:6798DTXSID4058156RefChem:156821DTXCID0031924266-583-0Butisan S

Weitere Namen anzeigen

TrackPreeButisanbas479hPyramidBAS 47900HBAS-47902HBAT-47900H

MetazachloreN-((1H-Pyrazol-1-yl)methyl)-2-chloro-N-(2,6-dimethylphenyl)acetamideBAS 479HMetazachlor [BSI:ISO]2-Chloro-N-(2,6-dimethylphenyl)-N-[(1H-pyrazol-1-yl)methyl]acetamideAcetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-acetamideMFCD00055509

Datenbank-Bezeichner

CAS: 67129-08-2
PubChem CID: 49384
DTXSID: DTXSID4058156
ChEMBL: CHEMBL2272118
ChEBI: CHEBI:6798
UNII: TPY2K437O4
EC Number: 266-583-0
Nikkaji: J19.048I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 38,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 19
Formalladung: 0
Komplexität: 303

Experimentelle und physikochemische Eigenschaften

Pesticides · 6 Einträge

Herbicides

Active substance -> EU Pesticides database: Approved

Herbicides

Environmental transformation -> Pesticides (parent, predecessor)

Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides

Pesticide

LogP2.22

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-78°C
Siedepunkt: 439.2 · 439.2±45.0 °C(Predicted)
Dichte: 1.237 · 1.237-1.323 g/cm3(Temp: 25 °C)
Flammpunkt: 2 °C · 2 °C
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Solid
pka: 1.54 · 1.54±0.10(Predicted)
Farbe: Off-White to Pale Beige
BRN: 621550 · 621550
Henry's Law Constant: 1.3 · 1.3×101 mol/(m3Pa) at 25℃, Barcelo and Hennion (1997)
Major Application: agricultureenvironmental
InChI: 1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3
InChIKey: STEPQTYSZVCJPV-UHFFFAOYSA-N
SMILES: Cc1cccc(C)c1N(Cn2cccn2)C(=O)CCl
LogP: 2.13 · 2.130
CAS Datenbank: 67129 · 67129-08-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · Acetamide, 2-chloro-n-(2,6-dimethylphenyl)-n-(1h-pyrazol-1-ylmethyl)-(67129-08-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Warning

H302 (16.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 2 Einträge

Regulation (EC) No 1107/2009 (amended)

Reg. (EU) 2022/708, 2008/116/EC, 2009/155/EC, Reg. (EU) 2017/195, Reg. (EU) 2018/155, Reg. (EU) 2021/745, Reg. (EU) 2023/918, Reg. (EU) 2026/1826, Reg. (EU) No 540/2011

Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (16.9%)

Skin sensitisation - category 1B

Carc. 2

Sicherheitsdaten

wgk: 3
ridadr: UN 1648 3/PG 2
hs_code: 29331990
RTECS-Nr.: AB5442000
risk_code: 22-36-20/21/22-11-43
hazard_code: Xn,F
safety_code: 36-26-16-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

Use Classification · 3 Einträge

Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides

Environmental transformation -> Pesticides (parent, predecessor)

Herbicides

Anwendungen

VerwendenA chloroacetanilide herbicide used on vegetable crops.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Xylol, Isomerengemisch N,N-Diethylethanamin 1H-Pyrazol 2,6-Xylidin 2-chloro-N-(chloromethyl)-N-(2,6-dimethylphenyl)acetamide 1H-Pyrazole-1-methanamine, N-(2,6-dimethylphenyl)-Chloracetylchlorid

Anbieter50 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An organochlorine compound that is 2-chloroacetamide substituted by a 2,6-dimethylphenyl and a (1H-pyrazol-1-ylmethyl) group at the nitrogen atom.