3-(트리플루오로메틸)페닐루레아

(3-Trifluoromethylphenyl)urea

HCID 25712CAS 13114-87-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: FQEIBEOBXKJAMZ-UHFFFAOYSA-N
분자식: C8H7F3N2O
평균 분자량: 204.15 g/mol
단동위원소 질량: 204.0510475

이름 및 식별자

우선 이름: (3-Trifluoromethylphenyl)urea
IUPAC: [3-(trifluoromethyl)phenyl]urea
현지명: 3-(트리플루오로메틸)페닐루레아
영어명: 3-(TRIFLUOROMETHYL)PHENYLUREA
분자식: C8H7F3N2O
분자량: 204.15

이름 및 동의어

13114-87-9[3-(trifluoromethyl)phenyl]ureaUrea, N-[3-(trifluoromethyl)phenyl]-Didemethylfluometuron(3-trifluoromethylphenyl)ureaUrea, N-(3-(trifluoromethyl)phenyl)-QA3K6C5P54(3-(Trifluoromethyl)phenyl)ureaNSC-136288DTXSID0065355(M-(TRIFLUOROMETHYL)PHENYL)UREATRIFLUOROMETHYL)PHENYL UREA, 3-(

이름 더 보기

3-(트리플루오로메틸)페닐루레아AKOS B0288243-(trifluoromethyl)phenylFluometuron-N,N-desmethyl[3-(trifluoromethyl)phenyl]-ure1-(3-Trifluoromethylphenyl) moy1-phenyl-3-(trifluoromethyl)urea3-(Trifluoromethyl)phenylurea98%

RefChem:69134DTXCID90340281-(3-(Trifluoromethyl)phenyl)urea3-(TRIFLUOROMETHYL)PHENYLUREA1-[3-(trifluoromethyl)phenyl]ureaN-[3-(trifluoromethyl)phenyl]ureaN-(3-Trifluoromethylphenyl)ureaUrea, [3-(trifluoromethyl)phenyl]-

데이터베이스 식별자

CAS: 13114-87-9
PubChem CID: 25712
DTXSID: DTXSID0065355
ChEMBL: CHEMBL1338939
UNII: QA3K6C5P54
EC Number: 236-040-2
Nikkaji: J266.756H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 217

실험 및 물리화학적 성질

PesticidesPesticide degradation product

LogP2.31

물리화학적 성질

녹는점: 101 · 101-103
끓는 점: 237 · 237.0±40.0 °C(Predicted)
밀도: 1.425 · 1.425±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 니들 크리스탈
산도 계수 (pKa): 14.42 · 14.42±0.50(Predicted)
색상: 하얀색
EPA: 3 · [3-(Trifluoromethyl)phenyl]urea (13114-87-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

독성 정보

USGS Health-Based Screening Levels for Evaluating Water-Quality · 4건

3-(Trifluoromethyl)-phenyl urea

Pesticide degradation product

Also see CASRN 2164172

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

안전 데이터

tsca: TSCA listed
HS 번호: 2924210090
hazard_code: T
위험 참고 사항: Toxic

화학 및 산업

용도 및 제조

General Manufacturing InformationUrea, N-[3-(trifluoromethyl)phenyl]-: INACTIVE

상·하류 제품 정보

상류 원료

공급사50 곳

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

凯曦（武汉）生物科技有限公司18086025538

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

武汉萘星光电科技有限公司13407122362

연결된 노트

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