n-ヘプチルトリフェニルホスホニウムブロミド

Heptyltriphenylphosphonium bromide

HCID 2724567

ノート反応

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基本情報

CAS: 13423-48-8
標準SMILES: CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M
分子式: C25H30BrP
平均分子量: 441.4 g/mol
単同位体質量: 440.12685

名称と識別子

優先名称: Heptyltriphenylphosphonium bromide
IUPAC: heptyl(triphenyl)phosphanium bromide
現地名: n-ヘプチルトリフェニルホスホニウムブロミド
英語名: Heptyltriphenylphosphonium bromide
分子式: C25H30BrP
分子量: 441.38

名称と別名

Heptyltriphenylphosphonium bromideEINECS 236-539-5RefChem:783752236-539-513423-48-8n-Heptyltriphenylphosphonium bromide(1-Heptyl)triphenylphosphonium bromideMFCD00050249heptyltriphenylphosphanium bromideheptyl(triphenyl)phosphanium;bromidePhosphonium, heptyltriphenyl-, bromideC25H30BrP

名称をさらに表示

n-ヘプチルトリフェニルホスホニウムブロミド臭化(N-ヘプチル)トリフェニルホスホニウムヘプチルトリフェニルホスホニウムブロミドヘプチルトリフェニルホスホニウム=ブロミドトリフェニルヘプチルホスホニウム・ブロミドヘプチルトリフェニルホスホニウム・ブロミドTTP(1-Heptyl)Bromo(heptyl)triphenylphosphoraneTriphenylheptylphosphonium bromidebromo(heptyl)triphenyl-l5-phosphaneN-HEPTYL TRIPHENYL PHOSPHONIUMROMIDEHeptyltriphenylphosphoniumBromide>(1-HEPTYL)TRIPHENYLPHOSPHONIUM BROMIDE

heptyl(triphenyl)phosphanium bromiden-Heptyl triphenylphosphonium bromideN-heptyl-triphenylphosphonium bromideSCHEMBL286882Heptyltriphenylphosphoniumbromideheptyltriphenylphosphine, bromiden-heptyltriphenylphosphine bromideDTXSID10928524

データベース識別子

CAS: 13423-48-8
PubChem CID: 2724567
DTXSID: DTXSID10928524
EC Number: 236-539-5

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 9
重原子数: 27
形式電荷: 0
複雑度: 313

物理化学的性質

融点: 173 · 173-176 °C(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: almost transparency in Methanol
外見: 微結晶性粉末
色: 白い
BRN: 3580843 · 3580843
InChI: 1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M
SMILES: [Br-].CCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
CAS データベース: 13423 · 13423-48-8(CAS DataBase Reference)

化学的性質

化学的特性white fine crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
hs_code: 29319000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37
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

応用分野 · 1 件

使用Heptyltriphenylphosphonium Bromide can be used for next Reaction: Stereospecific rearrangement of epoxides to quaternary carbaldehydes. Synthesis of the male pheromone of two species of termite Zootermopsis. Regio- and stereoselective TEMPO oxidation. Diastereoselective synthesis of climacostol for antitumor activity. Enantioselective synthesis of chiral vinylphosphonate and phosphonate analogs of immunosuppressive agent FTY720. Preparation of embelin derivatives with XIAP inhibitory and anticancer activity.