페닐프로피올알데히드

페닐프로피올알데히드 · 3-Phenylpropiolaldehyde · Phenylpropynal · 3-Phenylpropynal · 3-PHENYL-2-PROPYNAL · PHENYLPROPARGYL ALDEHYDE · Benzenepropynal · 3-phenylprop-2-ynal

https://huagongshe.com/ko/chemical/75740

식별자 및 물리적 특성

CAS No.	2579-22-8
분자식	C9H6O
평균 분자량	130.14 g/mol
단동위원소 질량	130.04186481 g/mol
SMILES	O=CC#Cc1ccccc1
InChIKey	IDASOVSVRKONFS-UHFFFAOYSA-N
PubChem CID	75740
EC No.	219-942-0
DTXSID	DTXSID80180455
현지명	페닐프로피올알데히드

화학 및 물리적 성질

XLogP	2
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	164
SpringerMaterials Properties	Boiling point
녹는점	139-140 °C (decomp)
끓는 점	118 °C13 mm Hg(lit.)
밀도	1.064 g/mL at 25 °C(lit.)
굴절률	n20/D 1.604(lit.)
인화점	202 °F
저장 조건	2-8°C
물리적 상태	액체
색상	Clear, dark red/orange
BRN	1099281
InChI	InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
InChIKey	IDASOVSVRKONFS-UHFFFAOYSA-N
SMILES	C(=O)C#CC1=CC=CC=C1
NIST	Phenylpropargyl aldehyde(2579-22-8)

화학적 성질

Phenylpropiolaldehyde is a dark red or orange liquid at room temperature and pressure, and is sensitive to oxidants. It is an unsaturated aldehyde compound, which contains a carbon-carbon triple bond structure and an aldehyde unit in its structure, and has a variety of chemical reaction pathways. This compound can undergo a nucleophilic addition reaction with a Grignard reagent to obtain propargyl alcohol derivatives

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 2810 6.1/PG 3
관세 코드	29122990
위험 문구(R)	36/37/38-36-22
위험 표시	Xi,Xn
안전 문구(S)	26-36
F 고인화성물질	9-19