1-페닐-2-프로핀-1-온

3-Oxo-3-phenylpropyne

HCID 77179

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3623-15-2
표준 SMILES: C#CC(=O)c1ccccc1
InChIKey: JITPLZPWKYUTDM-UHFFFAOYSA-N
분자식: C9H6O
평균 분자량: 130.14 g/mol
단동위원소 질량: 130.04186481

이름 및 식별자

우선 이름: 3-Oxo-3-phenylpropyne
IUPAC: 1-phenylprop-2-yn-1-one
현지명: 1-페닐-2-프로핀-1-온
영어명: 1-Phenyl-2-propyn-1-one
분자식: C9H6O
분자량: 130.14

이름 및 동의어

3623-15-21-Phenyl-2-propyn-1-onePropiolophenoneBenzoylacetylenePropynophenonePropioloylbenzeneEthynyl phenyl ketoneEthyne, benzoyl-2-Propyn-1-one, 1-phenyl-Phenyl ethynyl ketone3-Oxo-3-phenylpropyneB1VA1ZWT28

이름 더 보기

1-페닐-2-프로핀-1-온Propinoylbenzene1-Phenylpropynone2-PROPYN-1-ONE,1-PHENYL1-Oxo-2-propynylbenzene

NSC-140267DTXSID20189780RefChem:95212DTXCID80112271684-456-11-phenylprop-2-yn-1-oneMFCD066616461-Phenylpropyn-1-one

데이터베이스 식별자

CAS: 3623-15-2
PubChem CID: 77179
DTXSID: DTXSID20189780
ChEMBL: CHEMBL4541377
UNII: B1VA1ZWT28
EC Number: 684-456-1
Nikkaji: J108.733I

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 166

물리화학적 성질

녹는점: 50 · 50-51 °C
끓는 점: 70 · 70-74 °C(Press: 2 Torr)
밀도: 1.073 · 1.073±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: lumps
BRN: 606216 · 606216
InChI: 1S/C9H6O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7H
InChIKey: JITPLZPWKYUTDM-UHFFFAOYSA-N
SMILES: O=C(C#C)c1ccccc1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 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.