포살론

포살론 · p974 · zolon · P 974 · p-974 · Zoolon · ZOLONE · AZOFENE

식별자 및 물리적 특성

CAS No.	2310-17-0
분자식	C12H15ClNO4PS2
평균 분자량	367.8 g/mol
단동위원소 질량	366.98686427 g/mol
SMILES	CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21
InChIKey	IOUNQDKNJZEDEP-UHFFFAOYSA-N
PubChem CID	4793
ChEMBL	CHEMBL1528531
ChEBI	CHEBI:8121
EC No.	218-996-2
DTXSID	DTXSID1024259
현지명	포살론

화학 및 물리적 성질

XLogP	4.4
극성 표면적	105
수소 결합 공여자 수	0
수소 결합 수용자 수	6
회전 가능 결합 수	7
무거운 원자 수	21
형식 전하	0
복잡도	418
SpringerMaterials Properties	Fusion temperature
농약	PesticidesPesticide -> EPA IRISAcaricides, InsecticidesActive substance -> EU Pesticides database: Not approvedPesticides -> Organophosphate Insecticides
LogP(분배 계수)	log Kow = 4.38
냄새	Garlic마늘 냄새
밀도	1.338 g/mL at 20 °C1.4 g/cm³1.39 g/cm3
Color/Form	CrystalsWhiteColorless
용해도	Sol in ketones, alcohols and most aromatic solventspractically insol in aliphatic hydrocarbonsIn ethyl acetate, acetone, acetonitrile, benzene, chloroform, dichloromethane, dioxane, methyl ethyl ketone, toluene, xylene c. 1000, hexane 11 (all in g/L, 20 °C)In water, 3.05mg/L at 25 °C0.00305 mg/mL at 25 °CSolubility in water, g/100ml at 25 °C: 0.0003 (very poor)DMSO (약간 용해됨), 에틸아세테이트 (약간 용해됨), 메탄올 (약간 용해됨)
Corrosivity	Non-corrosive
인화점	100 °C c.c.
Decomposition	When heated to decomposition it emits very toxic fumes of /hydrogen chloride/, oxides of nitrogen, oxides of phosphorus and oxides of sulfur.Hydrolyzed by strong alkalis and acidsThe principal hydrolysis products are 6-chlorobenzoxazolone, (EtO)2 P(O)OH, and formaldehyde.
녹는점	47.5-48 °C46 °C47.5-48°
증기압	0.00000005 [mmHg]Vapor pressure at 25 °C: negligible-5 Pa (25 °C)
끓는 점	446.7±55.0 °C(Predicted)
저장 조건	0-6°C
pKa(산도 계수)	-1.75±0.20(Predicted)
용해도	3.05mg l-1(25°C)
물리적 상태	고체
색상	크리스탈
BRN	694650
헨리 상수	2.5×101 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	흡습성
주요 응용	농업환경
InChI	1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
InChIKey	IOUNQDKNJZEDEP-UHFFFAOYSA-N
SMILES	CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12
NIST	Phosalone(2310-17-0)
EPA	Phosalone (2310-17-0)

안전 및 규제

GHS 분류	DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
규제 정보	Commission Regulation (EC) No 451/2000Phosalone is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
기타 안전 정보	IMAP assessments - Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester: Environment tier I assessment
화재 위험	Combustible. Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire.
유해성 요약	A skin, eye, and respiratory tract irritantCan be absorbed through skinA weak cholinesterase inhibitor[ICSC] Effects in animal studies include zonal hepatitis[RTECS] May cause skin sensitization[eChemPortal: ESIS] The average of two baseline respective cholinesterase activity determinations three days apart, with no exposures to enzyme inhibiting pesticides for at least 30 days, is recommended for each worker prior to exposure to cholinesterase inhibitors because of large inter-individual differences in published baseline values. To be established at least once a year. Removal from workplace exposures is recommended until the cholinesterase activity returns to within 20% of baseline. [TLVs and BEIs]
EC 분류	Symbol: T, NR: 21-25-50/53S: (1/2)-36/37-45-60-61
UN 분류	UN Hazard Class: 6.1UN Pack Group: III
Special Reports	EPA/OPPOrganophosphorus Cumulative Risk Assessment - 2006 Update. p 40. (August 2006) Downloadable as a zipped pdf file from http://www.epa.gov/pesticides/cumulative/2006-op/index.htm as of June 20, 2007 provides a comparative risk assessment of organophosphorus pesticides and evaluates the risk posed by existing exposure scenarios.

용도

Phosalone is a organophosphate compouund used as insecticide and acaricide. Phosalone is a weak inhibitor of acetylcholinesterase.