기본 정보
- CAS
80060-09-9- 표준 SMILES
CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C- InChIKey
WOWBFOBYOAGEEA-UHFFFAOYSA-N- 분자식
- C23H32N2OS
- 평균 분자량
- 384.6 g/mol
- 단동위원소 질량
- 384.22353482
이름 및 식별자
- 우선 이름
- Diafenthiuron
- IUPAC
- 1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea
- 현지명
- 다이아펜티유론
- 영어명
- Diafenthiuron
- 분자식
- C23H32N2OS
- 분자량
- 384.58
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
80060-09-9- PubChem CID
- 3034380
- DTXSID
DTXSID1041845- ChEBI
CHEBI:39299- UNII
- 22W5MDB01G
- EC Number
- 616-885-7
- Nikkaji
- J409.511A
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 65.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 447
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 144.6 · 144.6-147.7°C
- 끓는 점
- 448.8 · 448.8±55.0 °C(Predicted)
- 밀도
- 1.0367 · 1.0367 (rough estimate)
- 굴절률
- 1.595 · 1.5950 (estimate)
- 인화점
- 149 °C · 149 °C
- 저장 조건
- 0 · 0-6°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 12 · 12+-.0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- 수용성
- 0.1 mg/mL · Water: < 0.1 mg/mL (insoluble)
- Merck
- 13 · 13,2988
- BRN
- 8343025 · 8343025
- 주요 응용
- 농업환경
- InChI
- 1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)
- InChIKey
- WOWBFOBYOAGEEA-UHFFFAOYSA-N
- SMILES
- CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C
- EPA
- Diafenthiuron (80060-09-9)
안전 및 규제
GHS 분류
GHS Classification
Danger
H331 (54.1%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (45.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H373 (55.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (55.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (55.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P261, P271, P273, P304+P340, P316, P317, P319, P321, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 85 reports by companies from 6 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.
유해성 정보
Hazard Classes and Categories
Acute Tox. 3 (54.1%);Acute Tox. 4 (45.9%);STOT RE 2 (55.3%);Aquatic Acute 1 (55.3%);Aquatic Chronic 1 (55.3%)
Acute toxicity (Oral) - Category 4;Acute toxicity (Inhalation: Dusts and mists) - Category 2;Serious eye damage/eye irritation - Category 2A;Specific target organ toxicity - Single exposure - Category 1 (respiratory system);Specific target organ toxicity - Repeated exposure - Category 2 (kidney);Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
규제 정보
안전 데이터
- wgk
- 2
- rtecs
- XN9100000
- ridadr
- UN 2811
- 독성
- LD50 in rats (mg/kg): 2068 orally; >2000 dermally; LC50 (14 hr) in rats: 558 mg/m3 by inhalation (Streibert, 1988)
- HS 번호
- 29309090
- risk_code
- 20
- hazard_code
- Xn
- safety_code
- 22
- 포장분류
- II
- 위험 등급
- 6.1(a)
- 기존화학 물질
- KE-05-0268
- Hazard Classifications
- Acute Tox. 3 InhalationAquatic Acute 1Aquatic Chronic 1STOT RE 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 다이아펜티유론 및 이를 25% 이상 함유한 혼합물
- 유해화학물질 필터링
- 97-1-15
화학 및 산업
용도 및 제조
응용 분야
개요Diafenthiuron is a broad spectrum acaricide and insecticide, diafenthiuron is registered for use on cotton, soybeans, vegetables, fruit and ornamentals. It controls all post-hatch stages of mites, whiteflies and aphids. Its ability to control all sucking pests of cotton as well as mites, with no known toxicity to beneficial insects, is unique and very valuable in cotton integrated pest management (IPM) programs.
용도Diafenthiuron is an insecticide.
상·하류 제품 정보
상류 원료
공급사100 곳
관련 반응
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