2-플루오로-4-(트리플루오로로메틸)벤잘데하이드

2-Fluoro-4-(trifluoromethyl)benzaldehyde

HCID 522929CAS 89763-93-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(C(F)(F)F)cc1F
InChIKey: KFEHNXLFIGPWNB-UHFFFAOYSA-N
분자식: C8H4F4O
평균 분자량: 192.11 g/mol
단동위원소 질량: 192.01982763

이름 및 식별자

우선 이름: 2-Fluoro-4-(trifluoromethyl)benzaldehyde
IUPAC: 2-fluoro-4-(trifluoromethyl)benzaldehyde
현지명: 2-플루오로-4-(트리플루오로로메틸)벤잘데하이드
영어명: 2-Fluoro-4-(trifluoromethyl)benzaldehyde
분자식: C8H4F4O
분자량: 192.11

이름 및 동의어

2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-9Benzaldehyde, 2-fluoro-4-(trifluoromethyl)-DTXSID10335113RefChem:87066DTXCID60286202618-296-0KFEHNXLFIGPWNB-UHFFFAOYSA-NC8H4F4OMFCD000613102-fluoro-4-trifluoromethylbenzaldehydeSCHEMBL153434

이름 더 보기

2-플루오로-4-(트리플루오로로메틸)벤잘데하이드à,à,à,2-tetrafluoro-p-tolualdehyde2-Fluoro-4-(trifluoromethyl)benzaldehy2-Fluoro-4-(trifluoromethyl)benzaldehyde97%2-Fluoro-4-(trifluoromethyl)benzaldehyde 97%ALPHA,ALPHA,ALPHA,2-TETRAFLUORO-P-TOLUALDEHYDE3-Fluoro-4-formylbenzotrifluoride, alpha,alpha,alpha,2-Tetrafluoro-p-tolualdehyde

AKOS005256321CS-W007958PS-8341H-P-FLUORO-DL-PHE-OMEHCLAM62135FT-0612322SCHEMBL2140819SBB064507

데이터베이스 식별자

CAS: 89763-93-9
PubChem CID: 522929
DTXSID: DTXSID10335113
EC Number: 618-296-0
Nikkaji: J829.242F

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 189

물리화학적 성질

끓는 점: 118 · 118-119 °C (lit.)
밀도: 1.41 g/mL · 1.41 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.45(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
색상: 무색의
Specific Gravity: 1.41 · 1.41
BRN: 7703632 · 7703632
InChI: InChI=1S/C8H4F4O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChIKey: KFEHNXLFIGPWNB-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(C(F)(F)F)C=C1F

화학적 성질

colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.