Metazachlor

Track · Pree · Butisan · bas479h · Pyramid · BAS 479H · BUTISAN S · BAS 47900H

식별자 및 물리적 특성

CAS No.	67129-08-2
분자식	C14H16ClN3O
평균 분자량	277.75 g/mol
단동위원소 질량	277.09818981 g/mol
SMILES	Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl
InChIKey	STEPQTYSZVCJPV-UHFFFAOYSA-N
PubChem CID	49384
ChEMBL	CHEMBL2272118
ChEBI	CHEBI:6798
EC No.	266-583-0
DTXSID	DTXSID4058156

XLogP	2.7
극성 표면적	38.1
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	19
형식 전하	0
복잡도	303
농약	HerbicidesActive substance -> EU Pesticides database: ApprovedEnvironmental transformation -> Pesticides (parent, predecessor)Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides
LogP(분배 계수)	2.22
Endocrine Disruptors	Potential endocrine disrupting compound
녹는점	74-78°C
끓는 점	439.2±45.0 °C(Predicted)
밀도	1.237-1.323 g/cm3(Temp: 25 °C)
인화점	2 °C
저장 조건	Sealed in dry,2-8°C
용해도	클로로포름, 메탄올에 용해됨
물리적 상태	Solid
pKa(산도 계수)	1.54±0.10(Predicted)
색상	미색부터 페일 베이지까지
BRN	621550
헨리 상수	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(분배 계수)	2.130
NIST	Acetamide, 2-chloro-n-(2,6-dimethylphenyl)-n-(1h-pyrazol-1-ylmethyl)-(67129-08-2)

White to Off-White Solid

GHS 분류	WarningH317: 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)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)
규제 정보	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	Acute Tox. 4 (16.9%)Skin sensitisation - category 1BCarc. 2
수질 위해 등급(WGK)	3
RTECS 번호	AB5442000
운송 번호(UN)	UN 1648 3/PG 2
관세 코드	29331990
위험 문구(R)	22-36-20/21/22-11-43
위험 표시	Xn,F
안전 문구(S)	36-26-16-36/37
위험 등급	Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1
저장 분류	11 - Combustible Solids

A chloroacetanilide herbicide used on vegetable crops.