프로페노포스

프로페노포스 · O-(4-브롬-2-클로로페닐)O-에틸S-프로필포스포로티산염 · PROFENOPHOS · PROFENFOS · CURACRON · PROFENPHOS · O-(4-BROMO-2-CHLOROPHENYL)-O-ETHYL-S-PROPYL PHOSPHOROTHIOATE · TaMbo

https://huagongshe.com/ko/chemical/38779

식별자 및 물리적 특성

CAS No.	41198-08-7
분자식	C11H15BrClO3PS
평균 분자량	373.63 g/mol
단동위원소 질량	371.93514 g/mol
SMILES	CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl
InChIKey	QYMMJNLHFKGANY-UHFFFAOYSA-N
PubChem CID	38779
ChEMBL	CHEMBL2138242
ChEBI	CHEBI:38845
EC No.	255-255-2
DTXSID	DTXSID3032464
현지명	프로페노포스

화학 및 물리적 성질

XLogP	4.7
극성 표면적	60.8
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	7
무거운 원자 수	18
형식 전하	0
복잡도	295
LogP(분배 계수)	log Kow = 4.68
냄새	Garlic-like
밀도	1.455 @ 20 °Cd20 1.455
Color/Form	Pale yellow liquidAmber color, oily liquid
용해도	Readily miscible with most organic solvents.In water, 28 mg/l @ 25 °CDMSO: 50 mg/mL (133.82 mM)
끓는 점	100 °C @ 1.35X10-2 mm Hg110°C (0.001 torr)
Decomposition	When heated to decomposition it emits very toxic /sulfur oxides, phosphorus oxides, hydrogen bromide, & hydrogen chloride/.... On hydrolysis DT50 (calculated) (20 °C) 93 day (pH 5), 14.6 days (pH 7), 5.7 hr (pH 9).
증기압	0.0000009 [mmHg]9.00X10-7 mm Hg @ 25 °C1.24×10-4 Pa (25 °C)
Physical Description	Profenofos is a pale yellow liquid with garlic-like odor. Corrosive. Used as an insecticide.Pale yellow or amber liquid with an odor like garlic[HSDB]
Stability/Shelf Life	Relatively stable under neutral & slightly acidic conditions. Unstable under alkaline conditions.
Kovats Retention Index	2153.82119.82123.521652174218421862160.621442165.82167.22153.621502133.6
Collision Cross Section	169.5 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3032464]184.3 Å² [M+Na]+ [CCS Type: DT166.61 Å² [M+H]+ [CCS Type: TWIonization: GC-APCI+]182.33 Å² [M+Na]+166.64 Å² [M+H]+
녹는점	<25 °C
굴절률	n20D 1.5466
인화점	124℃
저장 조건	APPROX 4°C
용해도	28mg l-1(25°C)
물리적 상태	기름진 액체
색상	Colorless to light yellow
비중	1.455 (20℃)
Merck	13,7860
BRN	2150258
헨리 상수	4.5×102 mol/(m3Pa) at 25℃, HSDB (2015)
주요 응용	농업환경
InChI	1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKey	QYMMJNLHFKGANY-UHFFFAOYSA-N
SMILES	CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl
LogP(분배 계수)	4.2 at 25℃
NIST	Phosphorothioic acid, o-(4-bromo-2-chlorophenyl) o-ethyl s-propyl ester(41198-08-7)
EPA	Profenofos (41198-08-7)

화학적 성질

Profenofos is a pale yellow liquid. Profenofos is relatively stable under neutral and slightly acidic conditions and unstable under alkaline conditions.Profenofos has a garlic-like odor. Profenofos has limited solubility in water (28 mg/L at 25°C) but is completely soluble in organic solvents (ethanol, acetone, toluene, n-octanol and n-hexane) at 25°C.

안전 및 규제

GHS 분류	WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]H312: Harmful in contact with skin [Warning Acute toxicity, dermal]H332: Harmful if inhaled [Warning Acute toxicity, inhalation]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]P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)Danger
규제 정보	Regulation (EC) No 1107/2009 (amended)Profenofos is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2002/2076Status: Active Update: 17-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16045
기타 안전 정보	IMAP assessments - Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester: Environment tier I assessmentIMAP assessments - Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester: Human health tier I assessment
운송 라벨(DOT)	Poison
화재 위험	Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:Combustible material: may burn but does not ignite readily. Containers may explode when heated. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2024)
건강 유해성	Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:Highly toxic, may be fatal if inhaled, ingested or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)
유해성 요약	A human cholinesterase inhibitorCaused morphological changes and decrease in count and motility to mice sperm after five days of dosing

용도

개요

Profenofos is a pale yellow liquid, bp 100 C/1.80 Pa, vp 0.124 mPa (25 C). Solubility in water is 28 mg/L (25 C). It is miscible with most organic solvents. Log Kow = 4.44. It is relatively stable in neutral and mild acid media but hydrolyzed in alkaline media; DT50 values (20 C) at pH 5, 7, and 9 are 93 d, 14.6 d, and 5.7 h, respectively.

용도

Profenofos is used to control insects (particularly caterpillars and Lepidoptera eggs) and mites on cotton, maize, sugar beet, soyabean, potatoes, vegetables, tobacco and a number of other crops

일반 설명

Pale yellow liquid with garlic-like odor. Corrosive. Used as an insecticide.