1,7-Octadiyne
212-815-0 · 1,7-Dctadiyne · 1,7-OCTADIYNE · octa-1,7-diyne · 1,7-Octanediyne · Octane-1,7-diyne · 1,7-Octadiyne>1,7-Octadiyne 98% · 1,7-Octadiyne,99%
식별자 및 물리적 특성
| CAS No. | 871-84-1 |
|---|---|
| 분자식 | C8H10 |
| 평균 분자량 | 106.16 g/mol |
| 단동위원소 질량 | 106.07825032 g/mol |
| SMILES | C#CCCCCC#C |
| InChIKey | DSOJWVLXZNRKCS-UHFFFAOYSA-N |
| PubChem CID | 70099 |
| EC No. | 212-815-0 |
| DTXSID | DTXSID1061233 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 107 |
| SpringerMaterials Properties | Density |
| 녹는점 | 27°C (estimate) |
| 끓는 점 | 135-136 °C (lit.) |
| 밀도 | 0.8 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.446(lit.) |
| 인화점 | 74 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 어렵거나 섞일 수 없음 |
| 물리적 상태 | 액체 |
| 비중 | 0.817 |
| 색상 | 무색투명~미황색 |
| BRN | 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 |
| EPA | 1,7-Octadiyne (871-84-1) |
화학적 성질
clear colorless to faintly yellow liquid
안전 및 규제
| GHS 분류 | WarningH226 (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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3295 3/PG 3 |
| 관세 코드 | 29012990 |
| 위험 문구(R) | 10-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 16-26-36/37/39 |
| 포장분류 | III |
| 위험 등급 | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 기존화학 물질 | KE-26590 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
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.
일반 설명
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.