CAS 135186-78-6 Pyriftalid (HCID 9948894)

部分構造検索類似構造を探す

基本情報

CAS: 135186-78-6
標準SMILES: COc1cc(OC)nc(Sc2cccc3c2C(=O)OC3C)n1
InChIKey: RRKHIAYNPVQKEF-UHFFFAOYSA-N
分子式: C15H14N2O4S
平均分子量: 318.3 g/mol
単同位体質量: 318.06742793

概要

Pyriftalid is a member of 2-benzofurans.

名称と識別子

優先名称: Pyriftalid
IUPAC: 7-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3H-2-benzofuran-1-one
現地名: ピリフタリド
英語名: PYRIFTALID
分子式: C15H14N2O4S
分子量: 318.35

名称と別名

Pyriftalid135186-78-64KJ568Y783CGA 279233DTXSID5057961RefChem:177742DTXCID9031729Pyriftalid [ISO]7-((4,6-Dimethoxypyrimidin-2-yl)thio)-3-methylisobenzofuran-1(3H)-oneGRAMINICIDEUNII-4KJ568Y7837-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3H-2-benzofuran-1-one

名称をさらに表示

ピリフタリド標準品ピリフタリド7-[(4,6-ジメトキシピリミジン-2-イル)スルファニル]-3-メチル-1,3-ジヒドロ-2-ベンゾフラン-1-オンCGA-2792337-(4,6-ジメトキシピリミジン-2-イル)チオ-3-メチルフタリド3-メチル-7-(4,6-ジメトキシ-2-ピリミジニルチオ)-1,3-ジヒドロイソベンゾフラン-1-オン7-(4,6-ジメトキシピリミジン-2-イルスルファニル)-3-メチル-1,3-ジヒドロイソベンゾフラン-1-オン7-(4,6-ジメトキシピリミジン-2-イルチオ)-3-メチルイソベンゾフラン-1(3H)-オンCycloester oxalfenPyriftalid StandardPYRIFTALID, PESTANALC16656000 Pyriftalidpyriftalid (bsi, pa iso)Buspirone Impurity 24-d8Pyriftalid in Acetonitrile

Pyriftalid 100 |Ig/mL in AcetonitrilePyriftalid 100 microg/mL in Acetonitrile7-((4,6-Dimethoxypyrimidin-2-yl)thio)-3-methylisobenzo[b]furan-1(3H)-one7-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3H-isobenzofuran-1-one7-[(4,6-Dimethoxypyrimidin-2-yl)sulfanyl]-3-methyl-2-benzofuran-1(3H)-one1(3H)-ISOBENZOFURANONE, 7-((4,6-DIMETHOXY-2-PYRIMIDINYL)THIO)-3-METHYLSCHEMBL119075orb2695333

物性

構造計算による物性

XLogP: 3
極性表面積: 95.8 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 4
重原子数: 22
形式電荷: 0
複雑度: 399

実験および物理化学的性質

Pesticides · 2 件

Herbicides

Active substance -> EU Pesticides database: Not approved

物理化学的性質

沸点: 555.6 · 555.6±60.0 °C(Predicted)
比重(密度): 1.39 · 1.39±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
酸解離定数(Pka): -0.47 · -0.47±0.50(Predicted)
Henry's Law Constant: 2.5 · 2.5×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
主な用途: 農業環境
InChI: 1S/C15H14N2O4S/c1-8-9-5-4-6-10(13(9)14(18)21-8)22-15-16-11(19-2)7-12(17-15)20-3/h4-8H,1-3H3
InChIKey: RRKHIAYNPVQKEF-UHFFFAOYSA-N
SMILES: COc1cc(OC)nc(Sc2cccc3C(C)OC(=O)c23)n1

化学的性質

化学的特性m.p.159~160℃

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P273, P319, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

危険有害性情報

Hazard Classes and Categories · 2 件

STOT RE 2 (100%)

Hazardous to the aquatic environment (Long-term) - Category 2

安全データ

wgk: 2
hs_code: 29349990
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Pyriftalid is a pesticide.

一般的な説明Pyriftalid is a pyrimidinyloxybenzoic herbicide used for the control of grass weeds in rice. Its mode of action involves inhibiting the biosynthesis of amino acids in weeds.