클로로넵

클로로넵 · 클로로넵(CHLORONEB) · CHLORONEB · 1,4-DICHLORO-2,5-DIMETHOXYBENZENE · nuflod · Teremec · Demosan · Demasan

https://huagongshe.com/ko/chemical/17581

식별자 및 물리적 특성

CAS No.	2675-77-6
분자식	C8H8Cl2O2
평균 분자량	207.05 g/mol
단동위원소 질량	205.99013486 g/mol
SMILES	COc1cc(Cl)c(OC)cc1Cl
InChIKey	PFIADAMVCJPXSF-UHFFFAOYSA-N
PubChem CID	17581
ChEMBL	CHEMBL3183369
ChEBI	CHEBI:3628
EC No.	220-222-3
DTXSID	DTXSID2024793
현지명	클로로넵

화학 및 물리적 성질

XLogP	3.1
극성 표면적	18.5
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	12
형식 전하	0
복잡도	127
SpringerMaterials Properties	Chemical shift
농약	FungicidesActive substance -> EU Pesticides database: Not approvedPesticides -> FungicidesPesticide (Chloroneb) -> USDA PDB
LogP(분배 계수)	log Kow = 3.44 /Estimated/3.46
냄새	Musty odor
밀도	1.66 (NTP, 1992) - Denser than waterwill sink1.3354 (rough estimate)
Color/Form	Colorless crystals
용해도	less than 0.1 mg/mL at 73 °F (NTP, 1992)At 25 °C: 115 g/kg acetone, 89 g/kg xylene, 118 g/kg dimethylformamide, 133 g/kg dichloromethaneIn water, 8.0 mg/L @ 25 °C
인화점	322 °F (NTP, 1992)>100 °C
끓는 점	514 °F at 760 mmHg (NTP, 1992)268 °C268°C
Decomposition	When heated to decomposition it emits toxic fumes of /hydrogen chloride/
녹는점	271 to 275 °F (NTP, 1992)133-135 °C133-135°C
증기압	0.003 mmHg at 77 °F7 mmHg at 284 °F (NTP, 1992)0.01 [mmHg]3X10-3 mm Hg @ 25 °C
굴절률	1.5537 (estimate)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	Solid
색상	White to off-white
용해도	23 ºC에서 <0.01g/100mL
BRN	1952749
헨리 상수	9.7×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
안정성	안정적인.
주요 응용	농업환경
InChI	1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChIKey	PFIADAMVCJPXSF-UHFFFAOYSA-N
SMILES	COc1cc(Cl)c(OC)cc1Cl
NIST	1,4-Dichloro-2,5-dimethoxybenzene(2675-77-6)
EPA	Chloroneb (2675-77-6)

화학적 성질

beige powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 7% (3 of 43) of reports.H411 (93%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
규제 정보	Chloroneb is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
운송 라벨(DOT)	Class 9
화재 위험	This chemical is combustible. (NTP, 1992)
화재 가능성	Chloroneb and its formulated products will catch fire /when exposed to flames/.
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound include vomiting, tremors and convulsions.
유해성 요약	A skin irritantNo human cases of systemic poisoning have been reported[EPA Pesticides] Low acute toxicityA skin sensitizerUnlikely to pose a dietary cancer risk[EPA REDs] May cause irritationMay cause CNS depression[MSDSonline]
반응성 그룹	Ethers
Special Reports	PEASE HL, REISER RWCHLORONEBANAL METHODS PESTIC PLANT GROWTH REGUL 7: 657-64 (1973). A REVIEW WITH 3 REFERENCES ON THE RECOMMENDED METHODS OF CHLORONEB DETERMINATION IN FORMULATIONS & RESIDUES.California Environmental Protection Agency/Department of Pesticide RegulationToxicology Data Review Summaries. Available from: http://www.cdpr.ca.gov/docs/toxsums/toxsumlist.htm on Chloroneb as of July 13, 2003.
FIFRA 요건	Tolerances are established for residues of the fungicide chloroneb (1,4-dichloro-2,5-dimethoxybenzene) and its metabolite 2,5-dichloro-4-methoxyphenol (calculated as chloroneb) in or on the following food commodities: bean

용도

개요

Chloroneb was developed by Du Pont de Nemours Co. in 1967. It differs from the compounds described above in that it does not contain nitro-groups. In common with other chlorobenzene fungicides, chloroneb has a low mammalian toxicity and a significant vapor pressure so that it was used as a soil fungicide in the culture of beans, cucumber, and cotton (20). In contrast with the nitrobenzene compounds, Phytophthora spp. are rather sensitive to chloroneb. Pythium spp. vary in sensitivity to chloroneb. Because of its low water solubility, chloroneb is only very weakly systemic (21,22).

일반 설명

White to tan solid or beige powder. Musty odor.