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기본 정보
- CAS
395-01-7- 표준 SMILES
O=C(c1ccccc1)C(F)F- InChIKey
OLYKCPDTXVZOQF-UHFFFAOYSA-N- 분자식
- C8H6F2O
- 평균 분자량
- 156.131 g/mol
- 단동위원소 질량
- 156.03867125
이름 및 식별자
- 우선 이름
- 2,2-Difluoro-1-phenylethan-1-one
- IUPAC
- 2,2-Difluoro-1-phenylethan-1-one
- 현지명
- 2,2-디플루오로아세토페논
- 영어명
- 2,2-DIFLUOROACETOPHENONE
- 분자식
- C8H6F2O
- 분자량
- 156.13
이름 및 동의어
2,2-디플루오로아세토페논2,2-Difluoro-1-phenylethan-1-oneA,A-DIFLUOROACETOPHENONE2,2-DIFLUOROACETOPHENONE2,2-Difluoroacetophenone97%2,2-Difluoroacetophenone 97%2,2-Difluoroacetophenone,95%2,2-DIFLUORO-1-PHENYLETHANONEEthanone, 2,2-difluoro-1-phenyl-ALPHA,ALPHA-DIFLUOROACETOPHENONEEthanone, 2,2-difluoro-1-phenyl- (9CI)
데이터베이스 식별자
- CAS
395-01-7- PubChem CID
- 273286
- DTXSID
DTXSID80960133- EC Number
- 641-292-5
- Nikkaji
- J753.861H
물성
물리화학적 성질
- 녹는점
- 48 · 48-50°C
- 끓는 점
- 53 · 53-54°C/12mm
- 밀도
- 1.18 · 1.180±0.06 g/mL
- 굴절률
- 1.4955 · 1.4955
- 인화점
- 53 · 53-54°C/12mm
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 물리적 상태
- 액체
- 수용성
- 물과 섞이지 않습니다.
- InChI
- 1S/C8H6F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H
- InChIKey
- OLYKCPDTXVZOQF-UHFFFAOYSA-N
- SMILES
- FC(F)C(C1=CC=CC=C1)=O
안전 및 규제
안전 데이터
- wgk
- 3
- HS 번호
- 2914790090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도2,2-Difluoroacetophenone acts as an intermediate in the preparation of various substances such as pharmaceuticals. Further, it is used in the one-pot synthesis of difluoromethylated arenes from aryl chlorides and bromides. In addition to this, it undergoes reduction with (-)-diisopinocampheylchloroborane chloride to get R-alcohols of purity 85% ee.
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