기본 정보
- 표준 SMILES
CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl- InChIKey
FITIWKDOCAUBQD-UHFFFAOYSA-N- 분자식
- C11H15Cl2O2PS2
- 평균 분자량
- 345.2 g/mol
- 단동위원소 질량
- 343.9628144
이름 및 식별자
- 우선 이름
- Prothiofos
- IUPAC
- (2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
- 현지명
- 프로티오포스
- 영어명
- Prothiofos
- 분자식
- C11H15Cl2O2PS2
- 분자량
- 345.25
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
34643-46-4- PubChem CID
- 36870
- DTXSID
DTXSID8042349- ChEMBL
CHEMBL1560680- ChEBI
CHEBI:38873- UNII
- H5232196GP
- EC Number
- 252-125-7、685-654-0
- Nikkaji
- J3.495I
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 75.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 294
실험 및 물리화학적 성질
Kovats Retention Index
2093;2095;2129;2157;2157.2;2133.2;2101;2133.7;2125.7;2105;2120
2170;2153.3;2155.1;2160.8;2151.7;2150.6
2915
물리화학적 성질
- 녹는점
- 25 °C · 25°C
- 끓는 점
- 126.5 °C · 126.5 °C
- 밀도
- 1.3 · 1.3000
- 증기압
- 3 · 3.0×10-4 Pa (20 °C)
- 저장 조건
- 4 °C · APPROX 4°C
- 수용성
- 0.07 mg · 0.07mg l-1(20°C)
- 물리적 상태
- 액체
- BRN
- 1998314 · 1998314
- Henry's Law Constant
- 3.4 · 3.4×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
- InChIKey
- FITIWKDOCAUBQD-UHFFFAOYSA-N
- SMILES
- CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl
- NIST
- Phosphorodithioic acid, o-(2,4-dichlorophenyl) o-ethyl s-propyl ester(34643-46-4)
- EPA
- Prothiofos (34643-46-4)
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H330 (92.9%): Fatal if inhaled [Danger Acute toxicity, inhalation];H400 (92.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (92.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P264, P270, P271, P273, P284, P301+P317, P304+P340, P316, P320, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Not Classified
유해성 정보
Regulatory Information
Hazard Traits - Environmental tox;Authoritative List - CWA 303(d);Report - if used as a fragrance or flavor ingredient
2002/2076
Prothiofos: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (100%);Acute Tox. 1 (92.9%);Aquatic Acute 1 (92.9%);Aquatic Chronic 1 (92.9%)
Acute toxicity (Oral) - Category 4;Acute toxicity (Dermal) - Category 5;Serious eye damage/eye irritation - Category 2B;Skin sensitization - Category 1;Specific target organ toxicity - Single exposure - Category 2 (nervous system);Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
규제 정보
Regulatory Information
Hazard Traits - Environmental tox;Authoritative List - CWA 303(d);Report - if used as a fragrance or flavor ingredient
2002/2076
Prothiofos: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 3
- rtecs
- TD5680000
- ridadr
- UN 3082
- risk_code
- 22-50/53
- hazard_code
- Xn,N
- safety_code
- 60-61
- 기존화학 물질
- KE-10189
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
용도 및 제조
응용 분야
개요Prothiofos is a colorless liquid. It is nearly insoluble in water (1.7 mg/L at 20 C) but readily soluble in most organic solvents. Log Kow = 5.67. It is relatively stable in aqueous media; DT50 values (22 C) at pH 4, 7, and 9 are 120, 280, and 12 d, respectively.
용도Prothiofos is used to control chewing insects in a range of crops including vegetables, fruit, maize, sugar cane and ornamentals.
상·하류 제품 정보
상류 원료
공급사40 곳
추가 설명
정의ChEBI: An organic thiophosphate that is the 2,4-dichlorophenyl ester of O-ethyl S-propyl dithiophosphoric acid.
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