1,7-Octadiyne (HCID 70099)

名称と識別子

優先名称: 1,7-Octadiyne
IUPAC: octa-1,7-diyne
現地名: 1,7-オクタジイン
英語名: 1,7-OCTADIYNE
分子式: C8H10
分子量: 106.17

名称と別名

1,7-Octadiyneocta-1,7-diynePD2DJ8KFZ6UNII-PD2DJ8KFZ6EINECS 212-815-0NSC 35135NSC-35135DTXSID1061233RefChem:73717DTXCID9048566DSOJWVLXZNRKCS-UHFFFAOYSA-NInChI=1/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H

名称をさらに表示

1,7-オクタジインオクタ-1,7-ジインオクタン-1,7-ジイン1,7-オクタンジイン1,7‐オクタジイン212-815-01,7-Dctadiyne1,7-OctanediyneOctane-1,7-diyne1,7-Octadiyne>1,7-Octadiyne 98%1,7-Octadiyne,99%1,7-Octadiyne,98%

871-84-1MFCD000085801,7-Octadiyne, 98%Oct-1,7-diyneNSC35135AT23232AS-797181,7 octadiyne

データベース識別子

CAS: 871-84-1
PubChem CID: 70099
DTXSID: DTXSID1061233
UNII: PD2DJ8KFZ6
EC Number: 212-815-0
Nikkaji: J100.786F

物性

構造計算による物性

XLogP: 2.5
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 107

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

融点: 27 °C · 27°C (estimate)
沸点: 135 · 135-136 °C (lit.)
比重(密度): 0.8 g/mL · 0.8 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.446(lit.)
闪点: 74 °F · 74 °F
貯蔵温度: 2 · 2-8°C
溶解性: 混和しないか、混合しにくい。
外見: 液体
比重: 0.817 · 0.817
色: 無色透明～微黄色
BRN: 1697275 · 1697275
InChI: InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2
InChIKey: DSOJWVLXZNRKCS-UHFFFAOYSA-N
SMILES: C#CCCCCC#C
CAS データベース: 871 · 871-84-1(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,7-Octadiyne (871-84-1)

化学的性質

化学的特性clear colorless to faintly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 7 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 CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3295 3/PG 3
hs_code: 29012990
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 16-26-36/37/39
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information1,7-Octadiyne: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用1,7-Octadiyne is an useful bifunctional chain extension unit. It participates in the formation of uranium(IV) vinyl complexes. It reacts with frustrated Lewis pair P(o-tolyl)3/B(C6F5)3 by acetylene C-C coupling to yield the zwitterionic product. It undergoes the reductive cyclization during reaction with Re2Cl4(-dppm)2 (dppm = Ph2PCH2PPh2) and affords quadruply bonded dirhenium(III) complex Re2Cl3(,η2-C8H7)(-dppm)2.

一般的な説明1,7-Octadiyne is a terminal bis-alkyne and participates in the formation of uranium(IV) vinyl complexes. It reacts with frustrated Lewis pair P(o-tolyl)3/B(C6F5)3 by acetylene C-C coupling to yield the zwitterionic product. It undergoes the reductive cyclization during reaction with Re2Cl4(μ-dppm)2 (dppm = Ph2PCH2PPh2) and affords quadruply bonded dirhenium(III) complex Re2Cl3(μ,η2-C8H7)(μ-dppm)2.