3-(Trifluoromethyl)benzaldehyde (HCID 67990)

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)benzaldehyde
IUPAC: 3-(trifluoromethyl)benzaldehyde
현지명: 3-트리플로르메틸벤즈알데히드
영어명: 3-(Trifluoromethyl)benzaldehyde
분자식: C8H5F3O
분자량: 174.12

이름 및 동의어

3-(Trifluoromethyl)benzaldehyde454-89-7Benzaldehyde, 3-(trifluoromethyl)-alpha,alpha,alpha-Trifluoro-m-tolualdehydem-(trifluoromethyl)benzaldehydeEINECS 207-228-1AT7H4H5U3EDTXSID8022032m-Tolualdehyde, .alpha.,.alpha.,.alpha.-trifluoro-3-(TRIFLUOROMETHYL)PHENYLCARBOXALDEHYDERefChem:496367DTXCID902032

이름 더 보기

3-트리플로르메틸벤즈알데히드3-(트라이플루오로메틸)벤즈알데하이드3-(트리플루오로메틸)벤즈알데히드MTF-BAD3-(three fluoroMethylCinacalcet Impurity 563-TRIFLUORMETHYLBENZALDEHYDEm-Trifuoromethylbenzaldehyde3-TRIFLUOROMETHYLBENZYLDEHYDEAlpha-Trifluoro-M-tolualdehydeA,A,A-TRIFLUORO-3-TOLUALDEHYDE

m-Tolualdehyde, alpha,alpha,alpha-trifluoro-3-Trifluoromethylbenzaldehydem-Trifluoromethylbenzaldehydea,a,a-trifluoro-m-tolualdehydeMFCD000033733-(trifluoromethyl)-benzaldehydeCinacalcet Impurity 513-Trifluoromethyl benzaldehyde

데이터베이스 식별자

CAS: 454-89-7
PubChem CID: 67990
DTXSID: DTXSID8022032
ChEMBL: CHEMBL4561632
UNII: AT7H4H5U3E
EC Number: 207-228-1
Nikkaji: J60.109H

물성

구조 계산 물성

XLogP: 2.5
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: 164

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 83 · 83-86 °C30 mm Hg(lit.)
밀도: 1.301 g/mL · 1.301 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.465(lit.)
인화점: 155 °F · 155 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.301 · 1.301
색상: 투명한 무색 내지 아주 약간의 오렌지색
BRN: 2327537 · 2327537
InChI: 1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H
InChIKey: NMTUHPSKJJYGML-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cccc(c1)C(F)(F)F
NIST: 3 · Benzaldehyde, 3-(trifluoromethyl)-(454-89-7)
EPA: 3 · Benzaldehyde, 3-(trifluoromethyl)- (454-89-7)

화학적 성질

CLEAR COLOURLESS TO VERY SLIGHTLY ORANGE LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 01-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27070

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
HS 번호: 29130000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
F 고인화성물질: 10-23
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 3-(trifluoromethyl)-: ACTIVE

응용 분야

일반 설명Aldol reaction of 3-(trifluoromethyl)benzaldehyde with hydroxyacetone in the aldolase antibody 38C2-ionic liquid system has been investigated.