메톨라클로르

메톨라클로르 · 메톨라클로르(METOLACHLOR) · Turbo · METALOCHLOR · DUAL · metolachlore · Metholachlor · Codal

식별자 및 물리적 특성

CAS No.	51218-45-2
분자식	C15H22ClNO2
평균 분자량	283.79 g/mol
단동위원소 질량	283.13390662 g/mol
SMILES	CCc1cccc(C)c1N(C(=O)CCl)C(C)COC
InChIKey	WVQBLGZPHOPPFO-UHFFFAOYSA-N
PubChem CID	4169
ChEMBL	CHEMBL1884974
ChEBI	CHEBI:83645
EC No.	257-060-8
DTXSID	DTXSID4022448
현지명	메톨라클로르

화학 및 물리적 성질

XLogP	3.1
극성 표면적	29.5
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	6
무거운 원자 수	19
형식 전하	0
복잡도	285
물질 분류	Carcinogens
농약	PesticidesPesticide -> EPA IRISHerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, Chloracetanilide
LogP(분배 계수)	log Kow = 3.132.93.09
밀도	1.12 (USCG, 1999) - Denser than waterwill sink1.12 g/cu cm at 20 °C1.12 g/cm³1.1200
Color/Form	Colorless liquidColorless to tan liquid
용해도	Miscible with benzene, toluene, ethanol, acetone, xylene, hexane, dimethylformamide, dichloroethane, cyclohexanone, methanol, octanol, and dichloromethane. Insoluble in ethylene glycol, propylene glycol, and petroleum ether.Soluble in most organic solvents.In water, 530 mg/L at 20 °CSolubility in water, mg/l at 25 °C: 488클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
Corrosivity	Noncorrosive
인화점	greater than 230 °F (USCG, 1999)Flashpoint of Dual 8E is 200 °F (Closed cup)190 °C2 °C
끓는 점	212 °F at 0.001 mmHg (USCG, 1999)BP: 100 °C at 0.001 mm Hgbp0.001 100°
Decomposition	When heated to decompostion it emits toxic fumes of /hydrogen chloride and nitrogen oxides/.
녹는점	-62.1 °C25°C
증기압	0.0000314 [mmHg]3.14X10-5 mm Hg at 25 °CVapor pressure, Pa at 25 °C: 0.0042
굴절률	1.526-1.529
저장 조건	APPROX 4°C
물리적 상태	Liquid
pKa(산도 계수)	1.45±0.50(Predicted)
색상	Colorless to light yellow
냄새	백색 내지 갈색의 투명한 액체, 무취
용해도	529.7mg/L(20℃)
BRN	8396147
헨리 상수	7.5×102 mol/(m3Pa) at 25℃, Muir et al. (2004)
주요 응용	농업환경
InChI	1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
InChIKey	WVQBLGZPHOPPFO-UHFFFAOYSA-N
SMILES	CCc1cccc(C)c1N(C(C)COC)C(=O)CCl
NIST	Metolachlor(51218-45-2)
EPA	Metolachlor (51218-45-2)

화학적 성질

Metolachlor is a colorless or tan to brown, oily liquid. Slightly sweet odor.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 4.2% (3 of 71) of reports.DangerH317 (94.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P316, P320, P321, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	2002/2076Metolachlor: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
기타 안전 정보	IMAP assessments - Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-: Environment tier I assessment
화재 위험	Combustible.
화재 가능성	This chemical is a combustible liquid. ...
건강 유해성	Can cause skin irritation and eye irritation. Headache and nausea may occur following prolong exposure. (USCG, 1999)
유해성 요약	Classified as 'slightly toxic, metolachlor is an pre-emergent herbicide with an oral LD50 of 2780 mg/kg. [EXTOXNET] Methemoglobinemia has been reported after poisoning by ingestion. [HSDB] No listed effects of short-term or long-term exposure[ICSC] A strong skin sensitizerIncreased incidence of liver tumors in female ratsNo developmental toxicityReduced pup weights in reproductive study with no toxicity in parental animals[Krieger, p. 1762-3]
반응성 그룹	Amides and Imides
Special Reports	USEPA/Office of Pesticide ProgramsReregistration Eligibility Decision Document - Metolachlor, EPA 738-R-95-006 (April 1995). The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the U.S.[Available from, as of January 31, 2012: http://www.epa.gov/pesticides/reregistration/status.htm]

용도

A selective pre-emergence herbicide.

일반 설명

Tan to brown oily liquid with a slightly sweet odor. Slightly soluble in water and denser than water. Hence sinks in water. Soluble in most organic solvents. Used as a selective herbicide.