4-(트리플루오로메톡시)벤즈알데히드

p-(Trifluoromethoxy)benzaldehyde

HCID 69573CAS 659-28-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(OC(F)(F)F)cc1
InChIKey: XQNVDQZWOBPLQZ-UHFFFAOYSA-N
분자식: C8H5F3O2
평균 분자량: 190.12 g/mol
단동위원소 질량: 190.02416406

이름 및 식별자

우선 이름: p-(Trifluoromethoxy)benzaldehyde
IUPAC: 4-(trifluoromethoxy)benzaldehyde
현지명: 4-(트리플루오로메톡시)벤즈알데히드
영어명: 4-(Trifluoromethoxy)benzaldehyde
분자식: C8H5F3O2
분자량: 190.12

이름 및 동의어

4-(Trifluoromethoxy)benzaldehyde659-28-9p-(Trifluoromethoxy)benzaldehydeEINECS 211-531-4DTXSID60216105RefChem:857959DTXCID20138596211-531-44-trifluoromethoxybenzaldehydep-trifluoromethoxybenzaldehydeBenzaldehyde, 4-(trifluoromethoxy)-MFCD00041530

이름 더 보기

4-(트리플루오로메톡시)벤즈알데히드uoromethoxy)benzaLPretomanid Impurity 3α,α,α-trifluoroanisaldehyde4-trifluoromethoxylbenzaldehyde-(Trifluoromethoxy)benzaldehydeOn trifluoroMethoxy benzaldehyde4-Bromo-3-chloro-3-fluoroanilineFor trifluoromethoxy benzaldehyde

4-Trifluoromethoxy-benzaldehydeA,A,A-TrifluoroanisaldehydeSCHEMBL971144-tri-fluoromethoxybenzaldehyde4-(Trifluoromethoxy)benzaldehyde #4-(Trifluoromethoxy)benzaldehyde, 96%AC-3865PS-8383

데이터베이스 식별자

CAS: 659-28-9
PubChem CID: 69573
DTXSID: DTXSID60216105
ChEMBL: CHEMBL4545827
EC Number: 211-531-4
Nikkaji: J205.957F

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: 171

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

끓는 점: 93 °C27 · 93 °C27 mm Hg(lit.)
밀도: 1.331 g/mL · 1.331 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.458(lit.)
인화점: 159 °F · 159 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 액체
Specific Gravity: 1.331 · 1.331
색상: 무색투명~엷은 황록색
BRN: 1949135 · 1949135
InChI: InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H
InChIKey: XQNVDQZWOBPLQZ-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(OC(F)(F)F)C=C1
NIST: 4 · Benzaldehyde, 4-(trifluoromethoxy)-(659-28-9)

화학적 성질

clear colorless to pale yellow-green 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 154 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29130000
risk_code: 36/37/38-36/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도4-(Trifluoromethoxy)benzaldehyde is suitable for use in the synthesis of (E)-4-(trifluoromethoxy)benzaldehyde thiosemicarbazone. It may be used in the synthesis of:new azo dyes containing of 5(4H)-oxazolone ring2-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole(E)-2-[4-(trifluoromethoxy)benzylidene]indan-1-one.

일반 설명4-(Trifluoromethoxy)benzaldehyde (p-(trifluoromethoxy)benzaldehyde) is an aromatic aldehyde. It participates in the synthesis of 4,5-dihydro-4-(4-trifluoromethoxyphenyl)pyrrolo[1,2-a]quinoxaline.