1-Butynylbenzene

Ethylphenylacetylene · C6H5C≡CC2H5 · 1-BUTYNYLBENZENE · 1-Phenyl-1-butyne · but-1-ynyl-benzene · 1-Butyn-1-ylbenzene · 1-Butyne, 1-phenyl- · Phenylethylacetylene

https://huagongshe.com/ko/chemical/69328

식별자 및 물리적 특성

CAS No.	622-76-4
분자식	C10H10
평균 분자량	130.19 g/mol
단동위원소 질량	130.07825032 g/mol
SMILES	CCC#Cc1ccccc1
InChIKey	FFFMSANAQQVUJA-UHFFFAOYSA-N
PubChem CID	69328
EC No.	210-752-3
DTXSID	DTXSID30211243

화학 및 물리적 성질

XLogP	3.1
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	138
Kovats Retention Index	111811291132.81132.3191.4
끓는 점	73-75 °C/4 mmHg (lit.)
밀도	0.916 g/mL at 25 °C (lit.)
굴절률	n20/D 1.551(lit.)
인화점	156 °F
저장 조건	Store at room temperature
물리적 상태	투명한 액체
색상	Colorless to Yellow to Green
BRN	1903397
InChI	1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3
InChIKey	FFFMSANAQQVUJA-UHFFFAOYSA-N
SMILES	CCC#Cc1ccccc1

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 40 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.5%)
수질 위해 등급(WGK)	3
관세 코드	29029090
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36/37/39
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

1-Phenyl-1-butyne was used to investigate the liquid-phase stereoselective hydrogenation of phenyl alkyl acetylenics at 298K and atmospheric pressure on Pd-supported catalysts.

일반 설명

1-Phenyl-1-butyne is a phenyl alkyl acetylenic compound. It′s reaction with alkali metals (sodium, potassium) in various solvents is reported. Palladium particles incorporated into organophilic montmorillonite catalyzed liquid-phase hydrogenation of 1-phenyl-1-butyne is reported. Copolymerization of C60 and 1-phenyl-1-butyne is reported.