基本情報
- CAS
95977-29-0- 標準SMILES
C[C@@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O- InChIKey
GOCUAJYOYBLQRH-MRVPVSSYSA-N- 分子式
- C15H11ClF3NO4
- 平均分子量
- 361.7 g/mol
- 単同位体質量
- 361.03287
概要
Haloxyfop-P is a 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid that has R configuration. It is the most active enantiomer of the (racemic) herbicide haloxyfop and is used (particularly as the corresponding methyl and ethoxyethyl ester proherbicides (haloxyfop-P-methyl and haloxyfop-P-etotyl, respectively) to control annual and perrenial grasses in a variety of crops. It has a role as an agrochemical, a phenoxy herbicide and an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor. It is a conjugate acid of a haloxyfop-P(1-). It is an enantiomer of a (S)-haloxyfop.
名称と識別子
- 優先名称
- Haloxyfop-P
- IUPAC
- (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid
- 現地名
- ハロキシホップ-P
- 英語名
- Haloxyfop-P
- 分子式
- C15H11ClF3NO4
- 分子量
- 361.7
名称と別名
Haloxyfop-P95977-29-0(+)-haloxyfopHaloxyfop-P [ISO]R-haloxyfop-acid(R)-haloxyfop(R)-haloxyfop-acid(2r)-2-(4-{[3-Chloro-5-(Trifluoromethyl)pyridin-2-Yl]oxy}phenoxy)propanoic AcidUNII-I57833604I(R)-(+)-HALOXYFOPI57833604ICHEBI:47454
名称をさらに表示
ハロキシホップ-Pハロキシホプ-P(R)-2-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acidHaloxyfop-R-methyl ECHaloxyfop-R(free acid)Haloxyfop-P (free acid)Haloxyfop-P in Methanolhaloxyfop-P Solution, 100ppmhaloxyfop-P Solution, 1000ppm
DTXSID90904725(2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acidPropanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, (2R)-Haloxyfop-R(r)-2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionic acid(2R)-2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoic acid(2R)-2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoic acid(R)-2-(4-(3-chloro-5-(trifluoromethyl)-2-pyridyloxy)phenoxy)propionic acid
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 68.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 5
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 429
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Environmental transformation -> Pesticides (parent, predecessor)
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- 沸点
- 420.3 · 420.3±45.0 °C(Predicted)
- 比重(密度)
- 1.442 · 1.442
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- ジクロロメタン;酢酸エチル;エーテル
- 酸解離定数(Pka)
- 3.12 · 3.12±0.10(Predicted)
- 外見
- solid
- 色
- 白い
- BRN
- 8571970 · 8571970
- InChI
- 1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1
- InChIKey
- GOCUAJYOYBLQRH-MRVPVSSYSA-N
- SMILES
- C[C@@H](Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O
- LogP
- 2.8 · 2.800 (est)
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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, 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. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Commission Implementing Regulation (EU) No 540/2011 (amended)
2010/86/EU, Reg. (EU) 2015/2233, Reg. (EU) 2020/1643, Reg. (EU) 2022/801, Reg. (EU) No 2018/670, Reg. (EU) No 540/2011
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
安全データ
- wgk
- 3
- risk_code
- 22-52/53
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
応用分野
使用Haloxyfop-P is a herbicide for controlling weeds in cassia fields. A pesticide residue in vegetables.
サプライヤー39 社
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上海澜克医药科技有限公司021-52216295 lankepharma
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武汉贝乐叶生物医药科技有限公司15871353653 18086118076 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
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化合物ノート
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