1-(2-Fluoro-5-nitrophenyl)ethan-1-one

HCID 2781067

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 79110-05-7
표준 SMILES: CC(=O)c1cc([N+](=O)[O-])ccc1F
InChIKey: BCXOSCQTHVTUET-UHFFFAOYSA-N
분자식: C8H6FNO3
평균 분자량: 183.14 g/mol
단동위원소 질량: 183.03317127

이름 및 식별자

우선 이름: 1-(2-Fluoro-5-nitrophenyl)ethan-1-one
IUPAC: 1-(2-fluoro-5-nitrophenyl)ethanone
영어명: 1-(2-Fluoro-5-nitrophenyl)ethan-1-one
분자식: C8H6FNO3
분자량: 183.14

이름 및 동의어

79110-05-71-(2-fluoro-5-nitrophenyl)ethan-1-oneDTXSID70381732RefChem:223455DTXCID00332757639-356-21-(2-fluoro-5-nitrophenyl)ethanone2'-Fluoro-5'-nitroacetophenone2-fluoro-5-nitroacetophenoneMFCD002778671-(2-fluoro-5-nitro-phenyl)ethanoneAKOS005254352

이름 더 보기

2'-Fluoro-5'-nitroacetophenone 96%Ethanone,1-(2-fluoro-5-nitrophenyl)-1-(2-Fluoro-5-nitrophenyl)ethan-1-one ISO 9001：2015 REACH1-(2-Fluoro-5-nitrophenyl)ethan-1-one, 3-Acetyl-4-fluoronitrobenzene

DS-1648AC-26551SY021875ETHANONE, 1-(2-FLUORO-5-NITROPHENYL)-BCP18512FT-06480531-(2-FLUORO-5-NITRO-PHENYL)-ETHANONE2-Fluoro-5nitroacetophenone

데이터베이스 식별자

CAS: 79110-05-7
PubChem CID: 2781067
DTXSID: DTXSID70381732
EC Number: 639-356-2
Nikkaji: J1.650.348G

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 62.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 53 · 53-54 °C
끓는 점: 241 · 241.0±20.0 °C(Predicted)
밀도: 1.336 · 1.336±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: White to Yellow to Green
InChI: InChI=1S/C8H6FNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3
InChIKey: BCXOSCQTHVTUET-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC([N+]([O-])=O)=CC=C1F)C

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.