基本情報
- CAS
99267-18-2- 標準SMILES
Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1- InChIKey
OMFRMAHOUUJSGP-UHFFFAOYSA-N- 分子式
- C23H22ClF3O2
- 平均分子量
- 422.9 g/mol
- 単同位体質量
- 422.1260421
名称と識別子
- 優先名称
- 2-Methyl-3-phenylbenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylate
- IUPAC
- (2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
- 現地名
- ２メチル３フェニルベンジル＝２（２クロロ３，３，３トリフルオロ１１プロペニル）３，３ジメチルシクロプロパンカルボキシラト
- 英語名
- 2-Methyl-3-phenylbenzyl-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)2,2-dimethyl cyclopanecarboxylate
- 分子式
- C23H22ClF3O2
- 分子量
- 422.87
名称と別名
DTXSID206699512-Methyl-3-phenylbenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylateRefChem:263310DTXCID7081035099267-18-2trans-Bifenthtin(2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylateSCHEMBL22469SCHEMBL4331886AKOS037654002(2-methyl-3-phenylphenyl)methyl 2,2-dimethyl-3-(2-chloro-3,3,3-trifluoro-1-propenyl)cyclopropanecarboxylate(2-Methyl[1,1'-biphenyl]-3-yl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
名称をさらに表示
２メチル３フェニルベンジル＝２（２クロロ３，３，３トリフルオロ１１プロペニル）３，３ジメチルシクロプロパンカルボキシラトビフェントリン 溶液2-Methyl-3-phenylbenzyl 2-(2-chloro-3,3,3-trifluoro-1-propenyl)-3,3-dimethylcyclopropanecarboxylate2-Methyl-3-phenylbenzyl-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)2,2-dimethyl cyclopanecarboxylate1-{3-[(1E)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropyl}-2-(2-methyl-3-biphenylyl)ethanone
物性
構造計算による物性
- XLogP
- 6
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 622
物理化学的性質
- 沸点
- 453.156 · 453.156±45.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.262 · 1.262±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 闪点
- 8 °C · 8°C
- 貯蔵温度
- 2 · 2-8°C
- 主な用途
- 農業環境
- InChI
- 1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m1/s1
- InChIKey
- OMFRMAHOUUJSGP-JHEGMOCKSA-N
- SMILES
- Cc1c(COC(=O)[C@H]2[C@@H](\C=C(/Cl)C(F)(F)F)C2(C)C)cccc1-c3ccccc3
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
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]；H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P260, P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 2 (100%)；Skin Sens. 1 (100%)；Acute Tox. 3 (100%)；Carc. 2 (100%)；STOT RE 1 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
安全データ
- wgk
- 3
- rtecs
- GZ1227800
- ridadr
- UN2811 - class 6.1 - PG 2 - EHS - Toxic solids, organic, n.o.s., HI: all
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Flam. Liq. 2
- ストレージクラス
- 3 - Flammable liquids
化学と産業
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関連反応
7 件
化合物ノート
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