벤녹사코르

벤녹사코르 · CGA-154281 · SOFIT · BENOXACOR · primextras · BRN4190275 · BRN 4190275 · BRN-4190275

식별자 및 물리적 특성

CAS No.	98730-04-2
분자식	C11H11Cl2NO2
평균 분자량	260.11 g/mol
단동위원소 질량	259.01668395 g/mol
SMILES	CC1COc2ccccc2N1C(=O)C(Cl)Cl
InChIKey	PFJJMJDEVDLPNE-UHFFFAOYSA-N
PubChem CID	62306
ChEMBL	CHEMBL2269059
ChEBI	CHEBI:3016
EC No.	619-372-6
DTXSID	DTXSID3029572
현지명	벤녹사코르

XLogP	2.8
극성 표면적	29.5
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	16
형식 전하	0
복잡도	273
농약	Pesticide (Benoxacor) -> USDA PDB
Physical Description	Large CrystalsLiquidOther Solid
녹는점	105-107°
끓는 점	240°C (rough estimate)
밀도	1.3416 (rough estimate)
증기압	0.002Pa at 25℃
굴절률	1.6070 (estimate)
인화점	>107 °C
저장 조건	0-6°C
용해도	클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	Solid
pKa(산도 계수)	1.20±0.40(Predicted)
색상	옅은 갈색에서 밝은 갈색까지
용해도	38mg/L at 25℃
BRN	4190275
헨리 상수	1.3×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
주요 응용	농업환경
InChI	1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
InChIKey	PFJJMJDEVDLPNE-UHFFFAOYSA-N
SMILES	CC1COc2ccccc2N1C(=O)C(Cl)Cl
LogP(분배 계수)	2.6 at 25℃
NIST	Benoxacor(98730-04-2)
EPA	Benoxacor (98730-04-2)

GHS 분류	WarningH317 (82%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 211 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 20-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/28351
Hazard Classes and Categories	Skin Sens. 1 (82%)
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	DM3029000
독성	LD50 (mg/kg): >5000 orally in rats>2010 dermally in rabbitsLC50 in rats (mg/l): >2000 by inhalation (Fed. Regist.)
관세 코드	29349990
위험 등급	Aquatic Chronic 1Skin Sens. 1
저장 분류	13 - Non Combustible Solids

Herbicide safener.