Flusilazole (HCID 73675)

이름 및 식별자

우선 이름: Flusilazole
IUPAC: bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
현지명: 1-((비스(4-플루오로페닐)메틸실릴)메틸)-1H-1,2,4-트리아졸
영어명: Flusilazole
분자식: C16H15F2N3Si
분자량: 315.4

이름 및 동의어

Flusilazole85509-19-9NustarFlusilazolOlympPunchFluzilazolSanctionDPX-H 6573DTXSID3024235F3WG2VVD87Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane

이름 더 보기

1-((비스(4-플루오로페닐)메틸실릴)메틸)-1H-1,2,4-트리아졸1-((비스(4-플루오로페닐)메틸실릴)메틸)-1H-1,2,4-트리아졸(1-((BIS(4-FLUOROPHENY...1-[[비스-(4-플루오로페닐)메틸실릴]메틸]-1H-1,2,4-트리아졸플루실라졸FlusiazoleMTDHLyric3D3AEG1Cursor

DPX-H65731-((Bis(4-fluorophenyl)(methyl)silyl)methyl)-1H-1,2,4-triazoleDTXCID704235CHEBI:819221-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole1H-1,2,4-Triazole, 1-((bis(4-fluorophenyl)methylsilyl)methyl)-bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-

데이터베이스 식별자

CAS: 85509-19-9
PubChem CID: 73675
DTXSID: DTXSID3024235
ChEMBL: CHEMBL1900522
ChEBI: CHEBI:81922
UNII: F3WG2VVD87
EC Number: 617-717-5
Nikkaji: J791.573J

물성

구조 계산 물성

극성 표면적: 30.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 333

실험 및 물리화학적 성질

LogP3.70

Melting Point48 °C

Physical DescriptionSolid

Ionization Efficiency · 6건

Positive

3.88

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Kovats Retention Index · 2건

2184.1；2194.3

2202；2192.3；2185.6；2190.8

Collision Cross Section174.9 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3024235]；176.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3024235]

물리화학적 성질

녹는점: 55 ° · 55°
끓는 점: 393 °C · 393 °C [760mmHg]
밀도: 1.17 · 1.17
증기압: 3.9 x · 3.9 x l0-8 Pa (25 °C)
굴절률: 1.563 · 1.563
인화점: 192 °C · 192°C
저장 조건: 0 · 0-6°C
용해도: 100 mg/mL · DMSO : 100 mg/mL (317.07 mM; Need ultrasonic)
산도 계수 (pKa): 2.5 at · 2.5 at 25℃
수용성: 900 mg · 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 · 13,4232
BRN: 5824097 · 5824097
Henry's Law Constant: 2.7 · 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

GHS Classification · 6건

Danger

H302: 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)

Danger

유해성 정보

Regulatory Information · 5건

Hazard Traits - Reproductive Toxicity；Authoritative List - EC Annex VI CMRs - Cat. 1B；Report - if used as a fragrance or flavor ingredient

Regulation (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 540/2011

Flusilazole: 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 · 3건

Acute Tox. 4 (100%)；Carc. 2 (100%)；Repr. 1B (65.1%)；Repr. 1B (34.9%)；Aquatic Chronic 2 (100%)

Carcinogenicity - category 2；Reproductive toxicity - category 1B；Acute toxicity - category 4；Hazardous to the aquatic environment (chronic) - category 2

Carc. 2；Repr. 1B；Acute Tox. 4 *；Aquatic Chronic 2

독성 정보

Target OrgansHepatic

Health EffectsFlusilazole 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.

Toxicity Summary · 1건

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.

Signs and Symptoms · 1건

Symptoms include weight loss, weakness, lethargy, alopecia and diarrhoea. At higher dose, prostration, salivation, laboured breathing, convulsions, and loss of righting reflex would be expected. Flusilazole can also cause mild erythema at the site of application.

EPA IRIS Information · 3건

NuStar

Hepatic

7 x 10 ^-4 mg/kg-day

Carcinogen ClassificationNot listed by IARC.

규제 정보

Regulatory Information · 5건

Hazard Traits - Reproductive Toxicity；Authoritative List - EC Annex VI CMRs - Cat. 1B；Report - if used as a fragrance or flavor ingredient

Regulation (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 540/2011

Flusilazole: 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: XZ4105000
ridadr: UN 2588
독성: LD50 in male, female rats (mg/kg): 1110, 674 orally; in rabbits >2000 dermally (Fort, Moberg)
risk_code: 61-22-40-51/53
hazard_code: T;N,N,T
safety_code: 53-45-61
기존화학 물질: KE-03158
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Carc. 2Repr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.

Cellular LocationsMembrane

용도 및 제조

UsesThis is a man-made compound that is used as a pesticide.

Use ClassificationFungicides

응용 분야

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

상·하류 제품 정보

상류 원료

공급사50 곳

湖北博杰生物科技有限公司0713-2060728 15629612610

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

연결된 노트

불러오는 중…

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

기본 정보