Ethynylcyclohexane

HCID 70263CAS 931-48-6

기본 정보

표준 SMILES: C#CC1CCCCC1
InChIKey: SSDZYLQUYMOSAK-UHFFFAOYSA-N
분자식: C8H12
평균 분자량: 108.18 g/mol
단동위원소 질량: 108.09390038

이름 및 식별자

우선 이름: Ethynylcyclohexane
IUPAC: ethynylcyclohexane
영어명: Cyclohexylacetylene
분자식: C8H12
분자량: 108.18

이름 및 동의어

EthynylcyclohexaneCyclohexylacetylene931-48-6Cyclohexane, ethynyl-EINECS 213-236-6DTXSID30239265RefChem:596818DTXCID50161756213-236-6CyclohexylethyneCYCLOHEXYL ACETYLENEethynyl-cyclohexane

이름 더 보기

1α-Ethynylcyclohexane1β-Ethynylcyclohexane2-cyclohexylacetylene

MFCD00001513Prothizinic acid; Protizinic acid1-ethynylcyclohexane1alpha-Ethynylcyclohexaneethyne,cyclohexyl-cyclohexane,ethynyl-Cyclohexylacetylene, 98%SCHEMBL187726

데이터베이스 식별자

CAS: 931-48-6
PubChem CID: 70263
DTXSID: DTXSID30239265
EC Number: 213-236-6
Nikkaji: J264.097J

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 98.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점: 130 · 130-132 °C
끓는 점: 130 · 130-132 °C (lit.)
밀도: 0.828 g/mL · 0.828 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4540(lit.)
인화점: 66 °F · 66 °F(lit.)
저장 조건: Flammables area
물리적 상태: 액체
색상: 노란색에서 밝은 갈색까지
수용성: 물과 섞이지 않습니다.
BRN: 1815535 · 1815535
InChI: 1S/C8H12/c1-2-8-6-4-3-5-7-8/h1,8H,3-7H2
InChIKey: SSDZYLQUYMOSAK-UHFFFAOYSA-N
SMILES: C#CC1CCCCC1

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationCyclohexylacetylene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 3295 3/PG 2
HS 번호: 29021990
risk_code: 11-36/37/38
hazard_code: F
safety_code: 16-37/39-26
포장분류: II
위험 등급: 3.1
F 고인화성물질: 10
Hazard Classifications: Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도Cyclohexylacetylene is used in the preparation of hydrido-vinylidene complexes of osmium, which finds vital intermediates in several homogeneous and heterogeneous catalytic reactions such as alkene olimerization, polymerization and Fischer-Tropsch synthesis.

일반 설명Cyclohexylacetylene (Ethynylcyclohexane) mediates NADPH-dependent loss of cytochrome P-450 on incubation with hepatic microsomes.