基本情報
- CAS
17577-28-5- 標準SMILES
CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
DJGHVEPNEJKZBF-UHFFFAOYSA-M- 分子式
- C22H22ClO2P
- 平均分子量
- 384.8 g/mol
- 単同位体質量
- 384.1045946
名称と識別子
- 優先名称
- Phosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, chloride (1:1)
- IUPAC
- (2-ethoxy-2-oxoethyl)-triphenylphosphanium chloride
- 英語名
- (Carboethoxymethyl)triphenylphosphonium chloride hydrate
- 分子式
- C22H22O2P.Cl
- 分子量
- 384.84
名称と別名
17577-28-5(2-Ethoxy-2-oxoethyl)triphenylphosphonium chloridePhosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, chloride (1:1)EINECS 241-548-2Phosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, chloride(Carbethoxymethyl)triphenylphosphonium chlorideDTXSID10884974RefChem:862279DTXCID201024390241-548-2(Ethoxycarbonylmethyl)triphenylphosphonium chlorideMFCD00011746
名称をさらに表示
(ETHOXYCARBONYLMETHYL)TRIPHENYL PHOSPHOðyl (triphenylphosphonio)acetate chlorideCARBETHOXYMETHYLTRIPHENYLPHOSPHONIUM CHLORIDE(CARBOETHOXYMETHYL)-TRIPHENYLPHOSPHONIUMCHLORID(4-ETHOXYCARBONYL)TRIPHENYLPHOSPHONIUM CHLORIDE(CARBOETHOXYMETHYL)TRIPHENYLPHOSPHONIUM CHLORIDE(ETHOXYCARBONYLMETHYL)TRIPHENYLPHOSPHONIUM CHLORIDE 97%(Carboethoxymethyl)triphenylphosphonium chloride hydrate
(2-ethoxy-2-oxoethyl)triphenylphosphanium chloride2-Ethoxy-2-oxoethyl)triphenylphosphonium chlorideCarbethoxymethyl triphenylphosphonium chloride(2-ethoxy-2-oxo-ethyl)-triphenyl-phosphonium chlorideFT-0604874C22H22ClO2PSCHEMBL1132723MSK168140
物性
構造計算による物性
- 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
- 3
- 回転可能結合数
- 7
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 359
物理化学的性質
- 融点
- 120 · 120-123 °C (dec.) 120-123 °C (lit.)
- 貯蔵温度
- 2 · 2-8°C
- BRN
- 3924139 · 3924139
- InChI
- 1S/C22H22O2P.ClH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
- InChIKey
- DJGHVEPNEJKZBF-UHFFFAOYSA-M
- SMILES
- [Cl-].CCOC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
- CAS データベース
- 17577 · 17577-28-5(CAS DataBase Reference)
- EPAの化学物質情報
- Phosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, chloride (17577-28-5)
化学的性質
化学的特性white to off-white crystals or crystalline powder
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- F
- 9
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29319019
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
General Manufacturing InformationPhosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, chloride (1:1): ACTIVE
応用分野
使用Reactant for:Preparation of disubstituted tetrahydrofurans as selective serotonin re-uptake inhibitors for the treatment of depressionRing-opening reactions with Wittig reagentsEnantioselective total synthesis of the phytotoxic lactone herbarumin III via Keck′s asymmetric allylation and Sharpless epoxidationSynthesis of fluorobenzofurans via microwave-assisted tandem intramolecular Wittig and Claisen rearrangement reactionsPreparation of phosphonium derivatives of coumarin
サプライヤー47 社
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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