2-(트리블루오로메틸)벤즈알데히드
o-(Trifluoromethyl)benzaldehyde
기본 정보
- CAS
447-61-0- 표준 SMILES
O=Cc1ccccc1C(F)(F)F- InChIKey
ZDVRPKUWYQVVDX-UHFFFAOYSA-N- 분자식
- C8H5F3O
- 평균 분자량
- 174.12 g/mol
- 단동위원소 질량
- 174.02924944
이름 및 식별자
- 우선 이름
- o-(Trifluoromethyl)benzaldehyde
- IUPAC
- 2-(trifluoromethyl)benzaldehyde
- 현지명
- 2-(트리블루오로메틸)벤즈알데히드
- 영어명
- 2-(Trifluoromethyl)benzaldehyde
- 분자식
- C8H5F3O
- 분자량
- 174.12
이름 및 동의어
2-(Trifluoromethyl)benzaldehyde447-61-0o-(Trifluoromethyl)benzaldehydeBenzaldehyde, 2-(trifluoromethyl)-EINECS 207-185-9DTXSID40196279EC 207-185-9RefChem:855180DTXCID00118770207-185-92-Trifluoromethylbenzaldehydealpha,alpha,alpha-Trifluoro-o-tolualdehyde
이름 더 보기
2-(트리블루오로메틸)벤즈알데히드2-(트리플루오로메틸)벤즈알데히드OTF-BADo-benzaldehydeAKOS BBS-000031722-Formylbenzotrifluoride2-Trifluormethylbenzaldehydeo-trifluoromethylformaldehydeα,α,α-trifluoro-o-tolualdehydeà,à,à-trifluoro-o-tolualdehyde2-(Trifluoromthyl)benzaldehyde
A,A,A-TRIFLUORO-O-TOLUALDEHYDE2-(trifluoromethyl)-benzaldehydeo-trifluoromethylbenzaldehydeMFCD00003337trifluoromethylbenzaldehyde2-trifluoromethyibenzaldehydeo-trifluoromethyl benzaldehydeo-Tolualdehyde, .alpha.,.alpha.,.alpha.-trifluoro-
데이터베이스 식별자
- CAS
447-61-0- PubChem CID
- 123067
- DTXSID
DTXSID40196279- ChEMBL
CHEMBL4549081- UNII
- NL9MFM543G
- EC Number
- 207-185-9
- Nikkaji
- J30.719J
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 17.1 Ų
- 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
물리화학적 성질
- 녹는점
- -40 °C · -40 °C
- 끓는 점
- 70 · 70-71 °C (16 mmHg)
- 밀도
- 1.32 g/mL · 1.32 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.466(lit.)
- 인화점
- 142 °F · 142 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 대부분의 유기용매에 용해됩니다.
- 물리적 상태
- 액체
- Specific Gravity
- 1.32 · 1.320
- 색상
- 무색투명~미황색
- BRN
- 2045512 · 2045512
- InChI
- 1S/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H
- InChIKey
- ZDVRPKUWYQVVDX-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccccc1C=O
- LogP
- 2.67 · 2.67
- NIST
- 2 · Benzaldehyde, 2-(trifluoromethyl)-(447-61-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (11.8%): 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzaldehyde, 2-(trifluoromethyl)-
Status: Cease Manufacture Update: 09-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6645
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (11.8%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1993 3/PG III
- HS 번호
- 29124990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39-36
- 포장분류
- III
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-34249
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도2-(Trifluoromethyl)benzaldehyde has been used in the preparation of ω-(dimethylamino)-alkylethyl-4(-2-(trifluorormethyl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates, methyl (E)-2-[2-[(E)-2-(2-trifluoromethylphenyl)vinyl]-phenyl]-3-methoxyacrylate via Wittig-Horner reaction. It is a reagent used as electrophilic component in a wide array of reactions.
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