4-플루오로-2-(트리플루오로메틸)벤즈알데히드

4-Fluoro-2-(trifluoromethyl)benzaldehyde

HCID 522940CAS 90176-80-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(F)cc1C(F)(F)F
InChIKey: NONOHEMDNFTKCZ-UHFFFAOYSA-N
분자식: C8H4F4O
평균 분자량: 192.11 g/mol
단동위원소 질량: 192.01982763

이름 및 식별자

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

이름 및 동의어

4-Fluoro-2-(trifluoromethyl)benzaldehyde90176-80-0DTXSID10335118RefChem:98947DTXCID60286207625-421-2NONOHEMDNFTKCZ-UHFFFAOYSA-N4-fluoro-2-trifluoromethyl benzaldehydeMFCD000613134-fluoro-2-trifluoromethylbenzaldehyde4-Fluoro-2-trifluoromethyl-benzaldehyde2-Trifluoromethyl-4-fluorobenzaldehyde

이름 더 보기

4-플루오로-2-(트리플루오로메틸)벤즈알데히드alpha,alphauoro-2-(trifL4-Fluoro-2-(Trifluoromethyl)be5-Fluoro-2-formylbenzotrifluorideà,à,à,4-tetrafluoro-o-tolualdehyde2-Trifluoromethoxy-4-Fluorobenzaldehyde4-Fluoro-2-(trilfuoromethyl)benzaldehyde

Benzaldehyde, 4-fluoro-2-(trifluoromethyl)-SCHEMBL333114SCHEMBL6211022CL8355SBB063664AKOS005064086AC-3853CS-W015827

데이터베이스 식별자

CAS: 90176-80-0
PubChem CID: 522940
DTXSID: DTXSID10335118
EC Number: 625-421-2
Nikkaji: J267.476I

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: 114 °C · 114 °C (lit.)
밀도: 1.408 g/mL · 1.408 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.452(lit.)
인화점: 134 °F · 134 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
BRN: 5932091 · 5932091
InChI: 1S/C8H4F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-4H
InChIKey: NONOHEMDNFTKCZ-UHFFFAOYSA-N
SMILES: Fc1ccc(C=O)c(c1)C(F)(F)F

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (95.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (95.8%)

안전 데이터

wgk: 3
ridadr: UN 1989 3/PG 3
HS 번호: 29130000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
포장분류: III
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도Starting material for Fevipiprant. 4-Fluoro-2-(trifluoromethyl)benzaldehyde is also a reagent in the preparation of numerous inhibitors against proteins such as CRTH2, DP2 Receptor and Hepatitis B Virus (HBV) Capsid.

일반 설명4-Fluoro-2-(trifluoromethyl)benzaldehyde is an organic fluorinated building block. It participates in the synthesis of diphenylthioethers. It also participates in the preparation of 1-cyano derivative of nilutamide.