1-((비스(4-플루오로페닐)메틸실릴)메틸)-1H-1,2,4-트리아졸

1-((비스(4-플루오로페닐)메틸실릴)메틸)-1H-1,2,4-트리아졸 · 1-((비스(4-플루오로페닐)메틸실릴)메틸)-1H-1,2,4-트리아졸(1-((BIS(4-FLUOROPHENY... · 1-[[비스-(4-플루오로페닐)메틸실릴]메틸]-1H-1,2,4-트리아졸 · 플루실라졸 · Flusiazole · MTDH · Lyric · PUNCH

https://huagongshe.com/ko/chemical/73675

1-((비스(4-플루오로페닐)메틸실릴)메틸)-1H-1,2,4-트리아졸 분자 구조식

식별자 및 물리적 특성

CAS No.	85509-19-9
분자식	C16H15F2N3Si
평균 분자량	315.39 g/mol
단동위원소 질량	315.10033035 g/mol
SMILES	C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIKey	FQKUGOMFVDPBIZ-UHFFFAOYSA-N
PubChem CID	73675
ChEMBL	CHEMBL1900522
ChEBI	CHEBI:81922
EC No.	617-717-5
DTXSID	DTXSID3024235
현지명	1-((비스(4-플루오로페닐)메틸실릴)메틸)-1H-1,2,4-트리아졸

화학 및 물리적 성질

극성 표면적	30.7
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	4
무거운 원자 수	22
형식 전하	0
복잡도	333
LogP(분배 계수)	3.70
녹는점	48 °C55°
Physical Description	Solid
Ionization Efficiency	Positive3.882.7Agilent XCTElectrospray ionizationformic acid (5.3nM)
Kovats Retention Index	2184.12194.322022192.32185.62190.8
Collision Cross Section	174.9 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3024235]176.6 Å² [M+H]+ [CCS Type: DTIonization: APCI+
끓는 점	393 °C [760mmHg]
밀도	1.17
증기압	3.9 x l0-8 Pa (25 °C)
굴절률	1.563
인화점	192°C
저장 조건	0-6°C
용해도	DMSO : 100 mg/mL (317.07 mMNeed ultrasonic)
pKa(산도 계수)	2.5 at 25℃
용해도	900 mg l-1 (pH 1.1), 50 mg l-1 (pH 5.7), 45 mg l-1 (pH 7.8) at 25 °C
물리적 상태	Solid
색상	White to off-white
생물학적 소스	mouse
Merck	13,4232
BRN	5824097
헨리 상수	2.7×101 mol/(m3Pa) at 25℃, Barcelo and Hennion (1997)
주요 응용	농업청소용품화장품환경음식 및 음료개인 위생 관리
InChI	1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3
InChIKey	FQKUGOMFVDPBIZ-UHFFFAOYSA-N
SMILES	C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3
EPA	Flusilazole (85509-19-9)

화학적 성질

Brown-red viscous liquid

안전 및 규제

GHS 분류	DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]H351: Suspected of causing cancer [Warning Carcinogenicity]H360D ***: May damage the unborn child [Danger Reproductive toxicity]H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
규제 정보	Hazard Traits - Reproductive ToxicityAuthoritative List - EC Annex VI CMRs - Cat. 1BReport - if used as a fragrance or flavor ingredientRegulation (EC) No 396/2005 (amended)Flusilazole is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)06/133/EC, Reg. (EU) 2022/801, Reg. (EU) No 540/2011Flusilazole: 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%)Carc. 2 (100%)Repr. 1B (65.1%)Repr. 1B (34.9%)Aquatic Chronic 2 (100%)Carcinogenicity - category 2Reproductive toxicity - category 1BAcute toxicity - category 4Hazardous to the aquatic environment (chronic) - category 2Acute Tox. 4 *Aquatic Chronic 2
표적 장기	Hepatic
건강 영향	Flusilazole can cause testicular Leydig-cell tumours and bladder tumours in rats and hepatocellular tumours in mouse. An increased gestation length and increased placental weight have been found in the reproductive toxicity studies.
독성 요약	Flusilazole has a dose-related inhibition of serum testosterone and estradiol concentrations in rats. This inhibition of testosterone and estradiol biosynthesis may disrupt the hypothalamus–pituitary–testis axis, resulting in overstimulation of the testicular endocrine tissues and increase the risk of Leydig-cell tumours.

용도

Flusilazole is a silicon-containing triazole fungicide. Flusilazole is used to control fungal infections on a variety of fruit and vegetable crops