Metazachlor (HCID 49384)

개요

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.

이름 및 식별자

우선 이름: Metazachlor
IUPAC: 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
영어명: Metazachlor
분자식: C14H16ClN3O
분자량: 277.75

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 303

실험 및 물리화학적 성질

Pesticides · 6건

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

물리화학적 성질

녹는점: 74 · 74-78°C
끓는 점: 439.2 · 439.2±45.0 °C(Predicted)
밀도: 1.237 · 1.237-1.323 g/cm3(Temp: 25 °C)
인화점: 2 °C · 2 °C
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: Solid
산도 계수 (pKa): 1.54 · 1.54±0.10(Predicted)
색상: 미색부터 페일 베이지까지
BRN: 621550 · 621550
Henry's Law Constant: 1.3 · 1.3×101 mol/(m3Pa) at 25℃, Barcelo and Hennion (1997)
주요 응용: 농업환경
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
NIST: 2 · Acetamide, 2-chloro-n-(2,6-dimethylphenyl)-n-(1h-pyrazol-1-ylmethyl)-(67129-08-2)

화학적 성질

White to Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 2건

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 · 3건

Acute Tox. 4 (16.9%)

Skin sensitisation - category 1B

Carc. 2

안전 데이터

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

화학 및 산업

용도 및 제조

Use Classification · 3건

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

Environmental transformation -> Pesticides (parent, predecessor)

Herbicides

응용 분야

용도A chloroacetanilide herbicide used on vegetable crops.

상·하류 제품 정보

상류 원료

공급사50 곳

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]

추가 설명

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