Uniconazole (HCID 6436604)

名称と識別子

優先名称: Uniconazole
IUPAC: (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
現地名: ウニコナゾール
英語名: Uniconazole
分子式: C15H18ClN3O
分子量: 291.78

名称と別名

Uniconazole83657-22-1R4ATA06H501H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (betaE)-RefChem:901125CHEBI:380001H-1,2,4-triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanolUniconazole [ISO](E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol76714-83-5XE 1019D

名称をさらに表示

プルニット(E)-1-(4-クロロフェニル)-4,4-ジメチル-2-(1H-1,2,4-トリアゾール-1-イル)-1-ペンテン-3-オールスマギックスマジックウニコナゾールマジックS-3307Dスミセベンペンテフェンゾールマジックスミセブンウニコナゾール標準品ウニコナゾルUNICONAZOLE-Ps3307(e)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ols07S-327s327dMajicm13144prunitS-3307

S 3307DMFCD01678674BRN 0662790(1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol(E)-(RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-olFenpentezolSumagic

データベース識別子

CAS: 83657-22-1
PubChem CID: 6436604
DTXSID: DTXSID7032505
ChEMBL: CHEMBL138177
ChEBI: CHEBI:86428
UNII: R4ATA06H50
EC Number: 617-483-4
Nikkaji: J243.011H

物性

構造計算による物性

XLogP: 3.6
極性表面積: 50.9 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 20
形式電荷: 0
複雑度: 346

実験および物理化学的性質

Kovats Retention Index2193；2175.4

物理化学的性質

融点: 150 · 150-160°C
沸点: 474.6 · 474.6±55.0 °C(Predicted)
比重(密度): 1.18 · 1.18±0.1 g/cm3(Predicted)
貯蔵温度: 0 · 0-6°C
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 13.07 · 13.07±0.20(Predicted)
外見: Solid
色: ホワイトからオフホワイト
主な用途: 農業環境
InChI: InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
InChIKey: YNWVFADWVLCOPU-JYRVWZFOSA-N
SMILES: C(/N1N=CN=C1)(\C(O)C(C)(C)C)=C\C1C=CC(=CC=1)Cl
CAS データベース: 83657 · 83657-22-1(CAS DataBase Reference)
NISTの化学物質情報: 1 H-1,2,4-triazole-1-ethanol, · 1H-1,2,4-triazole-1-ethanol, «beta»-((4-chlorophenyl)methylene)-«alpha»-(1,1-dimethylethyl)-,(e)-(.+/-.)-(83657-22-1)
EPAの化学物質情報: Uniconazole (83657-22-1)

化学的性質 · 1 件

化学的特性The substance appears as an off-white to light tan Solid. It can dissolve in water with a solubility of 14.3mg/L at 24°C. It is also soluble in acetone, methanol, ethyl acetate, and other organic solvents. It has low toxicity to humans and animals, but medium toxicity to fish.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

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