포레이트

포레이트 · 3911 · Chim · Geomet · UMET · DHAN · l11/6 · Timet

식별자 및 물리적 특성

CAS No.	298-02-2
분자식	C7H17O2PS3
평균 분자량	260.4 g/mol
단동위원소 질량	260.0128303 g/mol
SMILES	CCOP(=S)(OCC)SCSCC
InChIKey	BULVZWIRKLYCBC-UHFFFAOYSA-N
PubChem CID	4790
ChEMBL	CHEMBL510014
ChEBI	CHEBI:38764
EC No.	206-052-2
DTXSID	DTXSID4032459
현지명	포레이트

화학 및 물리적 성질

XLogP	3.6
극성 표면적	101
수소 결합 공여자 수	0
수소 결합 수용자 수	5
회전 가능 결합 수	8
무거운 원자 수	13
형식 전하	0
복잡도	156
LogP(분배 계수)	log Kow = 3.563.9
냄새	Skunk-like odor
밀도	1.156 at 77 °F (EPA, 1998) - Denser than waterwill sink1.156 @ 25 °C/4 °CDensity 1.167 g/cu cm @ 25 °C /Technical/Relative density (water = 1): 1.21.16 at 77 °F1.16 @25 °Cd425 1.156
Color/Form	Pale straw to light browncolorless to very light yellow liquid.
용해도	0.005 % (NIOSH, 2024)Soluble in most organic solvents such as acetone.Miscible with xylene, carbon tetrachloride, dioxane, methyl cellosolve, dibutyl phthalate, vegetable oilsIn water, 50 mg/l @ 25 °CSolubility in water: none0.005%클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
인화점	320 °F (NIOSH, 2024)160 °C (Open cup)160 °C o.c.320 °F (open cup)(oc) 320 °F
끓는 점	257 to 261 °F at 2 mmHg (EPA, 1998)75-78 °C @ 0.1 mm Hg118-120 °C @ 0.8 mm Hg125-127 °C @ 2.0 mm Hg257-261 °F290 °C @760 [mm Hg]125-127°C (2 mmHg)
Decomposition	When heated to decomposition it emits toxic fumes of /phosphorous and sulfur oxides/.
녹는점	-45 °F (EPA, 1998)<-15 °C-42.9 °C-43°C
증기압	0.00084 mmHg at 68 °F (EPA, 1998)0.0008 [mmHg]85 mPa (6.38X10-4 mm Hg) @ 25 °CVapor pressure, Pa at 20 °C: 0.10.00084 mmHg at 68 °F0.00084 [mm Hg] @25 °C8.5×10-2 Pa (25 °C)
굴절률	Index of refraction: 1.5329 @ 25 °C/DnD25 1.5329
Physical Description	Phorate is a clear liquid with an objectionable odor. Used as an insecticide and acaricideit is applied to plants and soil. (EPA, 1998)Clear liquid with a skunk-like odor. [insecticide][NIOSH]COLOURLESS-TO-YELLOW LIQUID WITH CHARACTERISTIC ODOUR.Clear liquid with a skunk-like odor.
저장 조건	0-6°C
용해도	0.005g/100mL
BRN	1708517
헨리 상수	2.1×100 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	안정적인. 강한 산화제와 호환되지 않습니다.
주요 응용	농업환경
InChI	1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
InChIKey	BULVZWIRKLYCBC-UHFFFAOYSA-N
SMILES	CCOP(=S)(OCC)SCSCC
NIST	Phorate(298-02-2)
EPA	Phorate (298-02-2)

화학적 성질

Phorate is a clear mobile liquid with a skunk-like odor

안전 및 규제

GHS 분류	DangerH300: Fatal if swallowed [Danger Acute toxicity, oral]H310: Fatal in contact with skin [Danger Acute toxicity, dermal]H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)
규제 정보	Hazard Traits - Developmental ToxicityEnvironmental toxNeurotoxicityAuthoritative List - CECBP - Priority ChemicalsCWA 303(d)Report - if used as a fragrance or flavor ingredientRegulation (EC) No 1107/2009 (amended)Phorate is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2002/2076The 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 - Phosphorodithioic acid, O,O-diethyl S-[(ethylthio)methyl] ester: Environment tier I assessmentIMAP assessments - Phosphorodithioic acid, O,O-diethyl S-[(ethylthio)methyl] ester: Human health tier I assessment
운송 라벨(DOT)	Poison
화재 위험	Shock can shatter containers, releasing the contents. When heated to decomposition, toxic fumes of sulfur oxides, phosphorus oxides, and nitrogen oxides are emitted. Hydrolyzed in water and alkalies. (EPA, 1998)Combustible.
건강 유해성	This material is one of the more toxic organophosphorus insecticides. It is a cholinesterase inhibitor that acts on the nervous system, and produces toxicity similar to Parathion. The probable oral lethal dose for humans is less than 5 mg/kg, i.e. a taste (less than 7 drops) for a 70 kg (150 lb.) person. (EPA, 1998)
유해성 요약	Classified as highly toxic with an LD50 of 1.1 to 3.7 mg/kg in rats, phorate may be used only by certified applicators. [EXTOXNET] 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]

용도

개요

Phorate is a colorless oil. The water solubility is 50 mg/L (25 C). It is miscible with common organic solvents. Log Kow = 3.92. Phorate is relatively unstable to hydrolysis in aqueous media; DT50 values at pH 7 and 9 are 3.2 and 3.9 d, respectively. Phorate is effective against sucking plant pests as a systemic insecticide-acaricide and also has good contact and vapor actions. It is usually formulated as granules. The acute oral LD50 for rats is 1.6–3.7 mg/kg. Inhalation LC50 (1 h) for rats is 0.06–0.011 mg/L air. ADI is 0.5 μg/kg b.w.

용도

Phorate is a non-biocumulative organophosphate used as an insecticide and acaricide. Phorate is an inhibitor of acetylcholinesterase and pseudocholinesterase.

일반 설명

Clear liquid with an objectionable odor. Used as an insecticide and acaricide; Phorate is applied to plants and soil.