(3-ブロモプロピル)ホスホン酸ジエチル

Diethyl (3-bromopropyl)phosphonate

HCID 283500CAS 1186-10-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOP(=O)(CCCBr)OCC
InChIKey: PEIKTSJIUKYDPC-UHFFFAOYSA-N
分子式: C7H16BrO3P
平均分子量: 259.08 g/mol
単同位体質量: 258.00204

名称と識別子

優先名称: Diethyl (3-bromopropyl)phosphonate
IUPAC: 1-bromo-3-diethoxyphosphorylpropane
現地名: (3-ブロモプロピル)ホスホン酸ジエチル
英語名: Diethyl(3-bromopropyl)phosphonate
分子式: C7H16BrO3P
分子量: 259.08

名称と別名

diethyl (3-bromopropyl)phosphonateRefChem:587016805-814-71186-10-3Diethyl 3-BromopropylphosphonateDiethyl(3-bromopropyl)phosphonate1-bromo-3-diethoxyphosphorylpropaneMFCD00800966(3-Bromopropyl)phosphonic acid diethyl esterNSC 1383451-bromo-3-diethoxyphosphoryl-propaneC7H16BrO3P

名称をさらに表示

(3-ブロモプロピル)ホスホン酸ジエチルphosphonateDiethyl (3-bromoprop-1-yl)phosphonateDiethyl (3-bromopropyl)DIETHOXY 3-BROMOPROPYLPHOSPHINEDiethyl(3-Bromopropyl)phosphonate>

diethyl 3-bromopropanphosphonateCS-W012527AS-10528EN300-97141AMY42222Phosphonic acid, (3-bromopropyl)-, diethyl esterNSC138345A893087

データベース識別子

CAS: 1186-10-3
PubChem CID: 283500
DTXSID: DTXSID50300688
ChEBI: CHEBI:188792
EC Number: 805-814-7
Nikkaji: J1.238.276F

物性

構造計算による物性

XLogP: 1.3
極性表面積: 35.5 Å²
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: 12
形式電荷: 0
複雑度: 142

物理化学的性質

沸点: 94 · 94-95 °C/2 mmHg (lit.)
比重(密度): 1.348 g/mL · 1.348 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.4620(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: アセトン、クロロホルム、エタノール、酢酸エチル、メタノール、
外見: 無色の液体
色: Colorless to Light yellow
InChI: InChI=1S/C7H16BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-7H2,1-2H3
InChIKey: PEIKTSJIUKYDPC-UHFFFAOYSA-N
SMILES: P(CCCBr)(=O)(OCC)OCC

化学的性質

化学的特性Colourless Liquid

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 (66.7%): 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 3 reports by companies from 3 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. 2A (100%)；STOT SE 3 (66.7%)

安全データ

wgk: 3
hs_code: 29319000
risk_code: 36/37/38
消防法: 危-4-3-III
safety_code: 26-36/37/39
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用Reactant for synthesis of: Hybrid assembly composed of titanium dioxide nanoparticles and thin multi-walled carbon nanotubesOrganosoluble zirconium phosphonate nanocomposites for asymmetric hydrogenationCyclic hydroxamic acids via alkylation followed by intramolecular cyclizationpH-responsive cyclopolymerReactant for: Homogenization of zirconium hydroxide phosphonate supported ruthenium catalystReactions with sodium imidazolide