엔도술판
3-디메타놀시클릭술피트 · 엔도설판 · 엔도술판 · 엔도썰판 · 6,7,8,9,10,10-헥테트라클로로-1,5,5a,6,9,9a-헥사하이드로-6,9-메타노-2,4,3-벤조디옥사티에핀3-산화물 · ENDOSULFAN · FAN · thionate
식별자 및 물리적 특성
| CAS No. | 115-29-7 |
|---|---|
| 분자식 | C9H6Cl6O3S |
| 평균 분자량 | 406.9 g/mol |
| 단동위원소 질량 | 403.816881 g/mol |
| SMILES | O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |
| InChIKey | RDYMFSUJUZBWLH-UHFFFAOYSA-N |
| PubChem CID | 3224 |
| ChEMBL | CHEMBL194399 |
| ChEBI | CHEBI:4791 |
| EC No. | 204-079-4 |
| DTXSID | DTXSID1020560 |
| 현지명 | 엔도술판 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 54.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 470 |
| pH | pH 7.2 in tap water |
| LogP(분배 계수) | log Kow = 3.83 (alpha)log Kow = 3.62 (beta)3.55/3.62 |
| 냄새 | Similar to terpene.... Slight, sulfur dioxide odor ... |
| 밀도 | 1.745 at 68 °F (EPA, 1998) - Denser than waterwill sink1.745 at 20 °C1.7 g/cm³1.745 @ 20°C1.7450 |
| Color/Form | Brown crystals ... [Note: Technical product is a tan, waxy, isomer mixture]. |
| 용해도 | less than 1 mg/mL at 73 °F (NTP, 1992)Solubility at 22 °C and a pH 7.2 in tap wateralpha-Endosulfan: 0.15 mg/l.beta-Endosulfan: 0.06 mg/l.Sol in xylene, kerosene, chloroform, acetone, and alcoholIn ethyl acetate 200, dichloromethane 200, toluene 200, ethanol 65, hexane 24 (all in g/L, 20 °C)In water, alpha-form = 0.32:, beta-form = 0.33 mg/L at 22 °C클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| Corrosivity | Corrosive to iron |
| 끓는 점 | Decomposes (NIOSH, 2024)106 °C at 0.7 mm Hg (with partial decomposition)106 °C(Press: 0.70 Torr) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride and sulfoxides/. |
| 녹는점 | 158 to 212 °F Range of values given is for a mixture of isomers (a isomer 228.7 °Fb isomer 415.9 °F). (EPA, 1998)106 °C (pure)MP: 70-100 °Cstable toward dil mineral acidshydrolyzed rapidly by alkaliescommercial product is a mixture of alpha-isomer, MP: 108-110 °C, and beta-isomer, MP: 208-210 °C /Technical/106 °C (pure), 70-100 °C (technical)223 °F106°C |
| 증기압 | 1e-05 mmHg at 77 °F (EPA, 1998)0.00001 [mmHg]VP: 6.2X10-6 mm Hg at 20 °C1.73X10-7 at 25 °CVapor pressure, Pa at 80 °C: 1.20.00001 mmHg8.3 x 10-4 Pa (25 °C) for 2:l mixture of α- and β-isomers |
| 헨리 상수 | Henry's Law constant = 6.5X10-5 atm-cu m/mole at 20 °C9.4×10-1 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| 인화점 | -26 °C |
| 저장 조건 | APPROX 4°C |
| 용해도 | 23&C에서 <0.1g/100mL |
| Merck | 13,3608 |
| BRN | 2062338 |
| NIST | Endosulfan(115-29-7) |
| EPA | Endosulfan (115-29-7) |
화학적 성질
(commercial product): Brown crystals. Mixture of two isomers.
안전 및 규제
| GHS 분류 | DangerH300: Fatal if swallowed [Danger Acute toxicity, oral]H312: Harmful in contact with skin [Warning Acute toxicity, dermal]H330: Fatal if inhaled [Danger 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]P260, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P317, P320, P321, P330, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Hazard Traits - BioaccumulationEnvironmental PersistenceEnvironmental toxNeurotoxicityAuthoritative List - ATSDR NeurotoxicantsCWA 303(d)EC PBTsOSPAR Priority Action Part AReport - if used as a fragrance or flavor ingredientRegulation (EC) No 1107/2009 (amended)Endosulfan is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)05/864/ECSubstance: EndosulfanEC: 204-079-4Date of inclusion in the POPs Regulation: 19-Jun-2012POPs Regulation Annex: Annex I, part AAnnex IVThe 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 - 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide: Environment tier I assessmentIMAP assessments - 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide: Human health tier I assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Container may explode in heat of fire. Fire or run off from fire control water may release irritating or poisonous gases. Slowly oxidizes in air. Do not store at temperature below 20F. (EPA, 1998) |
용도
개요
Endosulfan (70) [115-29-7], 6,7,8,9,10,10- hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3,- benzo-dioxathiepine 3-oxide (IUPAC) [The technical product is a mixture of two isomers: α-endosulfan: 3α,5αβ,6α, 9α,9αβ (64–67%) (70a) and β-endosulfan 3α,5aα,6β,9β, 9aα, (29–32%) (70b)]; [959-98-8] (formerly [33213-66- 0]) (β-endosulfan);[33213-65-9] (formerly [891-86-1] and [19670-15-6]) (β-endosulfan) is the adduct of hexachlorocyclopentadiene and 1,4-dihydroxy-2-butene reacted further with SOCl2 to produce 6,7,8,9,10,10-hexachloro- 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxa thiepin-3-oxide. The technical product is a brownish solid, mp 70–100 C, vapor pressure 1.3 mPa at 25 C, soluble in petroleum solvents but having low solubility in water. It consists of about four parts of α-isomer (mp 108 C, cis with regard to the sulfite group) and one part of the β-isomer (mp 206 C, trans with regard to the sulfite group). The α-isomer, which is somewhat more insecticidal, is slowly converted to the more stable β-isomer at high temperature, and both isomers are oxidized slowly to endosulfan sulfate [1031-07-8] (mp 181 C). In acid media, both isomers form endosulfan diol [2157-19-9] (mp 203 C).
용도
Insecticide.
일반 설명
Endosulfan is a pesticide. It is a cream- to brown-coloured solid that may appear in the form of crystals or flakes. It has a smell like turpentine, but does not burn. It does not occur naturally in the environment. It is a restricted use pesticide, meaning that it can only be used by professional applicators.