4-(트리플루오로메틸)벤즈알데히드

4-(Trifluoromethyl)benzaldehyde

HCID 67996CAS 455-19-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(C(F)(F)F)cc1
InChIKey: BEOBZEOPTQQELP-UHFFFAOYSA-N
분자식: C8H5F3O
평균 분자량: 174.12 g/mol
단동위원소 질량: 174.02924944

개요

4-(trifluoromethyl)benzaldehyde is a member of benzaldehydes.

이름 및 식별자

우선 이름: 4-(Trifluoromethyl)benzaldehyde
IUPAC: 4-(trifluoromethyl)benzaldehyde
현지명: 4-(트리플루오로메틸)벤즈알데히드
영어명: 4-(Trifluoromethyl)benzaldehyde
분자식: C8H5F3O
분자량: 174.12

이름 및 동의어

4-(Trifluoromethyl)benzaldehyde455-19-6Benzaldehyde, 4-(trifluoromethyl)-DTXSID00600164-(trifluoromethyl)-benzaldehydePara-(trifluoromethyl)benzaldehydeRefChem:517124DTXCID4040424207-240-74-Trifluoromethylbenzaldehyde1-Formyl-4-trifluoromethylbenzenep-Trifluoromethylbenzaldehyde

이름 더 보기

4-(트리플루오로메틸)벤즈알데히드4-(트라이플루오로메틸)벤즈알데하이드PTF-BAD4-(TrifLAKOS BBS-00003257LABOTEST-BB LT006162704-Trifluormethyl-benzaldehyd4-(trifluoromethy)benzaldehyd4-(TRIFLUOROMETHY)BENZALDEHYDEP-（Trifluoromethy)benzaldehydeA,A,A-TRIFLUORO-P-TOLUALDEHYDE

alpha,alpha,alpha-Trifluoro-p-tolualdehydeMFCD00006952p-(Trifluoromethyl)benzaldehyde4-trifluoromethyl benzaldehyde.alpha.,.alpha.,.alpha.-Trifluoro-p-tolualdehyde4'-trifluoromethyl benzaldehyde4-trifluoromethyl-benzaldehydeEINECS 207-240-7

데이터베이스 식별자

CAS: 455-19-6
PubChem CID: 67996
DTXSID: DTXSID0060016
ChEMBL: CHEMBL4473405
ChEBI: CHEBI:156309
EC Number: 207-240-7
Nikkaji: J43.130C

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 1 · 1-2°C
끓는 점: 66 · 66-67 °C13 mm Hg(lit.)
밀도: 1.275 g/mL · 1.275 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.463(lit.)
인화점: 150 °F · 150 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 1.5 g/L · 1.5g/L
물리적 상태: 액체
Specific Gravity: 1.275 · 1.275
색상: 무색~황색으로 투명함
수용성: 20 °C에서 · 물에 용해됩니다. 20°C에서 1.5g/L
BRN: 1101680 · 1101680
InChI: 1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
InChIKey: BEOBZEOPTQQELP-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(cc1)C(F)(F)F
NIST: 3 C6H4CHO · p-CF3C6H4CHO(455-19-6)
EPA: 4 · Benzaldehyde, 4-(trifluoromethyl)- (455-19-6)

화학적 성질

Clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (16.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information4-(Trifluoromethyl)-benzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (16.4%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29130000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT, AIR SENSITIVE
기존화학 물질: KE-34250
F 고인화성물질: 10-23
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 4-(trifluoromethyl)-: ACTIVE

응용 분야

용도4-(Trifluoromethyl)benzaldehyde is a reactant that has been used in the preparation of N,N''-(Arylmethylene)bisamides with cytotoxic activity as anti cancer agents.

상·하류 제품 정보

상류 원료

하류 제품

4-(트리플루오로메틸)하이드로신남산 4-트리플루오로메틸벤질클로라이드 Methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate N-메틸-N-[4-(트리플루오로메틸)벤질]아민 4-(트리플루오로메틸)-알파,알파,알파-트리플루오로아세토페논 마바트렙 4'-(트리플루오로메틸)프로피오페논 prop-2-en-1-yl({[4-(trifluoromethyl)phenyl]methyl})amine 플루인다롤 Methyl 2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxylate

공급사50 곳

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