基本情報
- CAS
13457-18-6- 標準SMILES
CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C- InChIKey
JOOMJVFZQRQWKR-UHFFFAOYSA-N- 分子式
- C14H20N3O5PS
- 平均分子量
- 373.37 g/mol
- 単同位体質量
- 373.08612892
概要
Pyrazophos is a member of the class of pyrazolopyrimidines that is the ethyl ester of 2-[(diethoxyphosphorothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid. A profungicide (by hydrolysis of the thionophosphate group to afford the corresponding 2-hydroxypyrazolopyrimidine fungicide), it is used to control Erysiphe, Helminthosporium and Rhynchospium in cereals. It has a role as a profungicide, an insecticide, a phospholipid biosynthesis inhibitor and an antifungal agrochemical. It is an ethyl ester, an organic thiophosphate and a pyrazolopyrimidine. It is functionally related to an ethyl 2-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
名称と識別子
- 優先名称
- Pyrazophos
- IUPAC
- ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
- 現地名
- ピラゾホス
- 英語名
- Pyrazophos
- 分子式
- C14H20N3O5PS
- 分子量
- 373.36
名称と別名
PYRAZOPHOS13457-18-6CuramilAfuganDTXSID7042352BEG0A8I17DNSC-232671Ethyl 2-((diethoxyphosphinothioyl)oxy)-5-methylpyrazolo(1,5-a)pyrimidine-6-carboxylateHOE-2873DTXCID5022352CHEBI:81942O,O-Diethyl O-(5-methyl-6-(ethoxycarbonyl)-pyrazolo-(1,5-a)-pyrimid-2-yl)-thionophosphate
名称をさらに表示
ピラゾホスピラゾホス標準品エチル=2-ジエトキシチオホスホリルオキシ-5-メチルピラゾロ[1, 5-a]ピリミジン-6-カルボキシラートピラゾホス標準液ピラゾホス STANDARDピラゾホス Standard, 100 µg/mL in MeOH2-[(ジエトキシホスフィノチオイル)オキシ]-5-メチルピラゾロ[1,5-a]ピリミジン-6-カルボン酸エチルクラミルエチル 2-{[ジエトキシ(スルファニリデン)-λ5-ホスファニル]オキシ}-5-メチルピラゾロ[1,5-a]ピリミジン-6-カルボキシラートミッシルアフガンｴﾁﾙ=2-ｼﾞｴﾄｷｼﾁｵﾎｽﾎﾘﾙｵｷｼ-5-ﾒﾁﾙﾋﾟﾗｿﾞﾛ (1,5-a)ﾋﾟﾘﾐｼﾞﾝ-6-ｶﾙﾎﾞｷｼﾗｰﾄhoe2873Siganexcarbonyl-AFUGAN(R)PYRAZOFOSHOE 02873
O-6-Ethoxycarbonyl-5-methylpyrazolo(1,5-a)pyrimidin-2-yl O,O-diethyl phosphorothioateEthyl 2-[(diethoxyphosphinothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylateO-6-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidin-2-yl O,O-diethyl phosphorothioateRefChem:177471236-656-1MissileHoechst 2873HOE 2873
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 116 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 9
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 473
実験および物理化学的性質
SpringerMaterials PropertiesFusion temperature
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Pyrazophos) -> USDA PDB
LogP3.8
Ionization Efficiency
Positive
2.94
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section192.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7042352]
物理化学的性質
- 融点
- 51 ℃ · 51℃
- 比重(密度)
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 蒸気圧
- 2.2 x · 2.2 x 10-4 Pa (50 °C)
- 貯蔵温度
- 4 °C · APPROX 4°C
- 酸解離定数(Pka)
- -1.37 · -1.37±0.40(Predicted)
- 水溶解度
- 4.2 mg · 4.2 mg l-1 (25 °C)
- Merck
- 13 · 13,8052
- BRN
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501 (click each P-code to see the statement)
Danger
H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P304+P340, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
00/233/EC
Pyrazophos: 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.
Other Safety InformationIMAP assessments - Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 2-[(diethoxyphosphinothioyl)oxy]-5-methyl-, ethyl ester: Human health tier I assessment
DOT Hazard Classification
Pyrazophos
Severe marine pollutant
Hazard Classes and Categories
Acute Tox. 3 (92.9%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 3
Acute Tox. 4 *
安全データ
- wgk
- 3
- rtecs
- TF2035000
- ridadr
- 2783
- 毒性
- LD50 in rats, marmots, rabbits (mg/kg): 140, 184, 435 orally (Smit)
- risk_code
- 20/22-50/53
- 安衛法
- 57,57-2
- 消防法
化学と産業
応用分野
使用Pyrazophos is a systemic fungicide that provides both protective and curative control of various fungal diseases such as powdery mildew (Podosphaera) on apples, stone fruits, bush fruits and strawberries, Erysiphe in cucurbits and tomatoes, Uncinula on vines and leaf blotch (Rhynchosporium) in cereals.
サプライヤー30 社
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Syntechem Co.,Ltd[email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…