2-플루오로-3-(트리플루오로로메틸)벤잘데하이드

2-Fluoro-3-(trifluoromethyl)benzaldehyde

HCID 517978

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 112641-20-0
표준 SMILES: O=Cc1cccc(C(F)(F)F)c1F
InChIKey: XDMZVNQKVMTCSP-UHFFFAOYSA-N
분자식: C8H4F4O
평균 분자량: 192.11 g/mol
단동위원소 질량: 192.01982763

이름 및 식별자

우선 이름: 2-Fluoro-3-(trifluoromethyl)benzaldehyde
IUPAC: 2-fluoro-3-(trifluoromethyl)benzaldehyde
현지명: 2-플루오로-3-(트리플루오로로메틸)벤잘데하이드
영어명: 2-Fluoro-3-(trifluoromethyl)benzaldehyde
분자식: C8H4F4O
분자량: 192.11

이름 및 동의어

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0DTXSID50333759RefChem:87048DTXCID60284849625-391-0XDMZVNQKVMTCSP-UHFFFAOYSA-NMFCD00061246Benzaldehyde, 2-fluoro-3-(trifluoromethyl)-2-fluoro-3-trifluoromethylbenzaldehydeSCHEMBL622545CK2108

이름 더 보기

2-플루오로-3-(트리플루오로로메틸)벤잘데하이드2-tetrafluoro-m-tolualdehydeà,à,à,2-tetrafluoro-m-tolualdehyde2-Fluoro-3-(trifluoromethyl)benzaldehyde,98%2-Fluoro-3-(trifluoromethyl)benzaldehyde 97%2-Fluoro-3-(trifluoromethyl)benzaldehyde, 97+%alpha,alpha,alpha,2-Tetrafluoro-m-tolualdehyde2-Fluoro-3-formylbenzotrifluoride, alpha,alpha,alpha,2-Tetrafluoro-m-tolualdehyde

DS-2152PS-8344AC-333032-fluoro-3-(trifluoromethyl) benzaldehydeCS-0133004EN300-2188382-Fluoro-3-(trifluoromethyl)benzaldehyde, 95%2-fluoro-3-trifluoromethyl-benzaldehyde

데이터베이스 식별자

CAS: 112641-20-0
PubChem CID: 517978
DTXSID: DTXSID50333759
EC Number: 625-391-0
Nikkaji: J1.726.150I

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: 185 ℃ · 185℃
밀도: 1.393 g/mL · 1.393 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.455(lit.)
인화점: 164 °F · 164 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
색상: Clear, colourless
Specific Gravity: 1.393 · 1.393
BRN: 8311752 · 8311752
InChI: 1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
InChIKey: XDMZVNQKVMTCSP-UHFFFAOYSA-N
SMILES: Fc1c(C=O)cccc1C(F)(F)F

화학적 성질

Clear slightly 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.