1,7-Octadiyne (HCID 70099)

이름 및 식별자

우선 이름: 1,7-Octadiyne
IUPAC: octa-1,7-diyne
영어명: 1,7-OCTADIYNE
분자식: C8H10
분자량: 106.17

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 107

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

녹는점: 27 °C · 27°C (estimate)
끓는 점: 135 · 135-136 °C (lit.)
밀도: 0.8 g/mL · 0.8 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.446(lit.)
인화점: 74 °F · 74 °F
저장 조건: 2 · 2-8°C
용해도: 어렵거나 섞일 수 없음
물리적 상태: 액체
Specific Gravity: 0.817 · 0.817
색상: 무색투명~미황색
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
EPA: 1 · 1,7-Octadiyne (871-84-1)

화학적 성질

clear colorless to faintly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3295 3/PG 3
HS 번호: 29012990
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36/37/39
포장분류: III
위험 등급: 3
기존화학 물질: KE-26590
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1,7-Octadiyne: ACTIVE

응용 분야 · 2건

용도1,7-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 설명1,7-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.