3-(트리플루오로메톡시)벤즈알데히드

3-(Trifluoromethoxy)benzaldehyde

HCID 605139

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 52771-21-8
표준 SMILES: O=Cc1cccc(OC(F)(F)F)c1
InChIKey: FQEVHRCPXFKJHF-UHFFFAOYSA-N
분자식: C8H5F3O2
평균 분자량: 190.12 g/mol
단동위원소 질량: 190.02416406

이름 및 식별자

우선 이름: 3-(Trifluoromethoxy)benzaldehyde
IUPAC: 3-(trifluoromethoxy)benzaldehyde
현지명: 3-(트리플루오로메톡시)벤즈알데히드
영어명: 3-(Trifluoromethoxy)benzaldehyde
분자식: C8H5F3O2
분자량: 190.12

이름 및 동의어

3-(Trifluoromethoxy)benzaldehyde52771-21-8DTXSID60345520RefChem:92743DTXCID10296593627-575-6FQEVHRCPXFKJHF-UHFFFAOYSA-N3-trifluoromethoxybenzaldehyde50823-91-1MFCD00042406m-(trifluoromethoxy)benzaldehydeTrifluoromethoxybenzaldehyde2

이름 더 보기

3-(트리플루오로메톡시)벤즈알데히드3-(Trifluoromethoxy)benzaldehyde97%3-(Trifluoromethyl oxy) benzaldehyde3-(Trifluoromethoxy)benzaldehyde 97%3-(TRIFLUOROMETHOXY)BENZALDEHYDE 95Inter-Trifluoro Methyoxide Benzaldehydes3-(TrifluoroMethoxy)benzaldehyde, 95% 1GR

Benzaldehyde, 3-(trifluoromethoxy)-3trifluoromethoxybenzaldehydem-trifluoromethoxybenzaldehyde3-trifluoromethoxy-benzaldehydeAKOS005171623CS-W0195153-(Trifluoromethoxy)benzaldehyde, 95%AC-3864

데이터베이스 식별자

CAS: 52771-21-8
PubChem CID: 605139
DTXSID: DTXSID60345520
ChEMBL: CHEMBL4462159
EC Number: 627-575-6
Nikkaji: J267.326F

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 179

물리화학적 성질

녹는점: 450 °C · 450°C
끓는 점: 83 · 83-86 °C/24 mmHg (lit.)
밀도: 1.33 g/mL · 1.33 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.454(lit.)
인화점: 163 °F · 163 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.33 · 1.330
색상: 맑은 노란색
BRN: 7267831 · 7267831
InChI: 1S/C8H5F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-5H
InChIKey: FQEVHRCPXFKJHF-UHFFFAOYSA-N
SMILES: FC(F)(F)Oc1cccc(C=O)c1

화학적 성질

clear 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.