4-플루오로-3-(트리플루오로메틸)벤즈알데히드

4-Fluoro-3-(trifluoromethyl)benzaldehyde

HCID 522269CAS 67515-60-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(F)c(C(F)(F)F)c1
InChIKey: BIUDHHGROGJSHN-UHFFFAOYSA-N
분자식: C8H4F4O
평균 분자량: 192.11 g/mol
단동위원소 질량: 192.0198274

이름 및 식별자

우선 이름: 4-Fluoro-3-(trifluoromethyl)benzaldehyde
IUPAC: 4-fluoro-3-(trifluoromethyl)benzaldehyde
현지명: 4-플루오로-3-(트리플루오로메틸)벤즈알데히드
영어명: 4-Fluoro-3-(trifluoromethyl)benzaldehyde
분자식: C8H4F4O
분자량: 192.11

이름 및 동의어

4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-0DTXSID10334904RefChem:98969DTXCID20285993626-222-3BIUDHHGROGJSHN-UHFFFAOYSA-N4-fluoro-3-trifluoromethylbenzaldehydeMFCD00061314Benzaldehyde, 4-fluoro-3-(trifluoromethyl)-4-Fluoro-3-(trifluoromethyl)4-fluoro-3-trifluromethylbenzaldehyde

이름 더 보기

4-플루오로-3-(트리플루오로메틸)벤즈알데히드3,6-Dichloropropiophenone4-tetrafluoro-m-tolualdehyde2-Fluoro-5-formylbenzotrifluorideà,à,à,4-tetrafluoro-m-tolualdehyde3-TRIFLUOROMETHYL-4-FLUOROBENZALDEHYDE4-Fluoro-3-(trifluoromethyl)benzaldehyde>4-Fluoro-3-(trifluoromethyl)benzaldehyde97%4-Fluoro-3-(trifluoromethyl)benzaldehyde 97%

4-fluoro-3-trifluoromethyl-benzaldehyde3-(trifluoromethyl)-4-fluoro-benzaldehydeSCHEMBL67628SCHEMBL2140487SCHEMBL27974286SBB0636594fluoro-3-trifluoromethyl benzaldehydeAKOS005259737

데이터베이스 식별자

CAS: 67515-60-0
PubChem CID: 522269
DTXSID: DTXSID10334904
EC Number: 626-222-3
Nikkaji: J1.726.154A

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: 178 °C · 178 °C(lit.)
밀도: 1.408 g/mL · 1.408 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.457(lit.)
인화점: 176 °F · 176 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.41 · 1.41
BRN: 1958528 · 1958528
InChI: 1S/C8H4F4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H
InChIKey: BIUDHHGROGJSHN-UHFFFAOYSA-N
SMILES: Fc1ccc(C=O)cc1C(F)(F)F

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 7 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.