Ipconazole (HCID 86211)

이름 및 식별자

우선 이름: Ipconazole
IUPAC: 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
현지명: 이코나졸
영어명: IPCONAZOLE
분자식: C18H24ClN3O
분자량: 333.86

이름 및 동의어

Ipconazole125225-28-7DTXSID7034674DTXCID5014674CHEBI:81770FC61260G4Q2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanolCyclopentanol, 2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)-RefChem:1087420603-038-1ipconazole (ISO); (1RS,2SR,5RS;1RS,2SR,5SR)-2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol

이름 더 보기

이코나졸knf-317IpcozoleIpconazole SolutionIPCONAZOLE STANDARDC14365000 Ipconazoleipconazole (bsi, pa e-iso)Ipconazole in AcetonitrileIpconazole 100 μg/ml Acetonitrile

2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-olIpconazole [ISO]RanconaUNII-FC61260G4QZr(HMDS)2Cl2Zr[N(SiMe3)2]2Cl2SCHEMBL21696orb1738353

데이터베이스 식별자

CAS: 125225-28-7
PubChem CID: 86211
DTXSID: DTXSID7034674
ChEMBL: CHEMBL3185422
ChEBI: CHEBI:81770
EC Number: 603-038-1
Nikkaji: J576.490D

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 23
형식 전하: 0
복잡도: 386

실험 및 물리화학적 성질

Collision Cross Section · 1건

173.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7034674]；173.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7034674]；179.6 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7034674]

물리화학적 성질

녹는점: 86 · 86~92℃
끓는 점: 486 · 486.0±41.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
증기압: 3.58 x · 3.58 x l0-6 Pa (isomer pair I); 6.99 x l0-6Pa (isomer pair 11) (25 °C)
수용성: 6.93 mg · 6.93mg l-1(20°C)
산도 계수 (pKa): 13.76 · 13.76±0.60(Predicted)
물리적 상태: powder
색상: white to off-white
Henry's Law Constant: 3.9 · 3.9×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI: InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
InChIKey: QTYCMDBMOLSEAM-UHFFFAOYSA-N
SMILES: CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl
EPA: Ipconazole (125225-28-7)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H360D: May damage the unborn child [Danger Reproductive toxicity]；H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)

Danger

유해성 정보

Regulatory Information · 4건

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

Regulation (EC) No 1107/2009 (amended)

Ipoconazole is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Commission Regulation (EU) 2021/618, Dir 08/20/EC, Reg (EU) 2023/939, Reg. (EU) 2018/155, Reg. (EU) 2020/1295, Reg. (EU) 2020/2007, Reg. (EU) No 571/2014

Hazard Classes and Categories · 3건

Acute Tox. 4 (84.7%)；Acute Tox. 4 (30.1%)；Repr. 1B (55.8%)；Repr. 2 (13.7%)；STOT RE 2 (63.1%)；Aquatic Acute 1 (22.1%)；Aquatic Chronic 1 (77.9%)

Acute toxicity (Oral) - Category 4；Reproductive toxicity - Category 1B；Specific target organ toxicity - Single exposure - Category 2 (systemic)；Specific target organ toxicity - Repeated exposure - Category 1 (respiratory organs), Category 2 (eye, liver, kidney, skin)；Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 1

Repr. 1B；Acute Tox. 4；STOT RE 2；Aquatic Chronic 1

독성 정보

RAIS Toxicity Values · 4건

0.1

OPP

0.015

OPP

EPA Human Health Benchmarks for Pesticides · 6건

Ipoconazole

0.1

3000

Females 13-49 yrs

0.015

89

규제 정보

Regulatory Information · 4건

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

Regulation (EC) No 1107/2009 (amended)

Ipoconazole is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Commission Regulation (EU) 2021/618, Dir 08/20/EC, Reg (EU) 2023/939, Reg. (EU) 2018/155, Reg. (EU) 2020/1295, Reg. (EU) 2020/2007, Reg. (EU) No 571/2014

안전 데이터

wgk: WGK 3
HS 번호: 29339900
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Repr. 1BSTOT RE 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도Ipconazole controls a wide range of seed diseases in rice and other crops and is particularly effective against 'Bakanae disease', Helminthosporum leaf spot and blast on rice.

공급사33 곳

湖北万得化工有限公司15377098680 15377098680 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

上海艾梯西生物科技有限公司18721763493

추가 설명 · 1건

정의ChEBI: A member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl, 4-chlorobenzyl and isopropyl substituents at positions 1, 2 and 5 respectively. Used to control a range of seed diseases in rice, vegetables and other, mainly non-food, crops.

연결된 노트

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