o-Fluorobenzaldehyde
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기본 정보
- CAS
446-52-6- 표준 SMILES
O=Cc1ccccc1F- InChIKey
ZWDVQMVZZYIAHO-UHFFFAOYSA-N- 분자식
- C7H5FO
- 평균 분자량
- 124.11 g/mol
- 단동위원소 질량
- 124.03244294
이름 및 식별자
- 우선 이름
- o-Fluorobenzaldehyde
- IUPAC
- 2-fluorobenzaldehyde
- 영어명
- 2-Fluorobenzaldehyde
- 분자식
- C7H5FO
- 분자량
- 124.11
이름 및 동의어
2-Fluorobenzaldehyde446-52-6o-FluorobenzaldehydeBenzaldehyde, 2-fluoro-Benzaldehyde, o-fluoro-EINECS 207-171-27ZX20DXB9ZNSC 66829BRN 0507155NSC-66829DTXSID80220304-07-00-00559 (Beilstein Handbook Reference)
이름 더 보기
Fluorobenzaldehyde1AKOS BBS-000031502-Fluorbenzaldehyd2-FLUOROBENZALDHYDE2-fluoro-benzaldehyd2-FluorobenzaldethydeLABOTEST-BB LT00941219
RefChem:855262Benzaldehyde, o-fluoro-(8CI)DTXCID102030207-171-2InChI=1/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5ortho-FluorobenzaldehydeMFCD00003302fluorobenzaldehyde
데이터베이스 식별자
- CAS
446-52-6- PubChem CID
- 67970
- DTXSID
DTXSID8022030- ChEMBL
CHEMBL4084647- UNII
- 7ZX20DXB9Z
- EC Number
- 207-171-2
- Nikkaji
- J30.717C
물성
구조 계산 물성보충 중
- XLogP
- 1.8
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 103
실험 및 물리화학적 성질
Kovats Retention Index941.5；947.3；931
물리화학적 성질
- 녹는점
- -45 °C · -45 °C
- 끓는 점
- 175 °C · 175 °C
- 밀도
- 1.19 · 1.19
- 굴절률
- 1.52 · 1.52
- 인화점
- 55 °C · 55 °C
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 물리적 상태
- clear liquid
- 색상
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.178 · 1.178
- 수용성
- 불용성
- BRN
- 507155 · 507155
- InChI
- 1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H
- InChIKey
- ZWDVQMVZZYIAHO-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccccc1F
- NIST
- 2 · Benzaldehyde, 2-fluoro-(446-52-6)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (98.1%)；STOT SE 3 (96.2%)
규제 정보
Regulatory Information2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
화학 및 산업
응용 분야
용도2-(2-Fluorobenzylidene)-2-hydroxybenzohydrazide was synthesized by the reaction of 2-hydroxybenzoylhydrazine with 2-fluorobenzaldehyde in ethanol. Synthesis of n-aryl indolines from 2-fluorobenzaldehyde dimethylhydrazone derivatives which is an approach to preparation of c(aryl)-n(amine) bond atropisomeric amines. The o-dialkylaminobenzaldehydes were conveniently prepared by nucleophilic displacement of the activated fluorine in 2-fluorobenzaldehyde with the required dialkylamine in hot dimethylformamide. N-(2-Fluorobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide methanol solvate in the reaction of quinolin-8-yloxyacetic acid hydrazide and 2-fluorobenzaldehyde.
상·하류 제품 정보
하류 제품
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