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기본 정보
- CAS
2142-70-3- 표준 SMILES
CC(=O)c1ccccc1I- InChIKey
XDXCBCXNCQGZPG-UHFFFAOYSA-N- 분자식
- C8H7IO
- 평균 분자량
- 246.04 g/mol
- 단동위원소 질량
- 245.95416
이름 및 식별자
- 우선 이름
- 2'-Iodoacetophenone
- IUPAC
- 1-(2-iodophenyl)ethanone
- 영어명
- 2'-Iodoacetophenone
- 분자식
- C8H7IO
- 분자량
- 246.05
이름 및 동의어
2'-Iodoacetophenone2142-70-3DTXSID30286592RefChem:439690DTXCID70237740678-571-61-(2-Iodophenyl)ethanoneo-Iodoacetophenone1-(2-iodophenyl)ethan-1-oneMFCD00094998Acetophenone, o-iodo-Acetophenone, 2'-iodo-
이름 더 보기
2-IODOACETOPHENONE2-iodophenone2'-Iodoacetophenone>2''-IODOACETOPHENONE 97%2'-IODOACETOPHENONE, 99+%2'-Iodoacetophenone, 98+%
Ethanone, 1-(2-iodophenyl)-1-acetyl-2-iodobenzene2 inverted exclamation mark -IodoacetophenoneEthanone, 1-(iodophenyl)-1-(2-Iodo-phenyl)-ethanone2-acetyliodobenzeneNSC466252 -Iodoacetophenone
데이터베이스 식별자
- CAS
2142-70-3- PubChem CID
- 240431
- DTXSID
DTXSID30286592- EC Number
- 678-571-6
- Nikkaji
- J456.470G
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 133
물리화학적 성질
- 녹는점
- 71 · 71-73 °C
- 끓는 점
- 139 · 139-140°C 12mm
- 밀도
- 1.72 g/mL · 1.72 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.618(lit.)
- 인화점
- 218 °F · 218 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 액체
- Specific Gravity
- 1.72 · 1.720
- 색상
- 맑은 노란색
- BRN
- 2325078 · 2325078
- InChI
- InChI=1S/C8H7IO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
- InChIKey
- XDXCBCXNCQGZPG-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=CC=C1I)C
화학적 성질
Clear yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 8 reports by companies from 4 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
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (25%)
안전 데이터
- wgk
- 3
- HS 번호
- 29147000
- risk_code
- 36/38
- hazard_code
- C
- safety_code
- 26-36-24/25
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 12 - Non Combustible Liquids
화학 및 산업
응용 분야
용도2′-Iodoacetophenone (2-Iodoacetophenone) may be used in the synthesis of:indene derivativesdi-(o-acetylphenyl)acetyleneindenol derivative
일반 설명2′-Iodoacetophenone is a halogenated aromatic ketone.
제조 방법
2'-Iodoacetophenone can be synthesized by diazotization of 2-acetylaniline. To a solution of p-TsOH (22.80 g, 120 mmol) in CH3CN (160 mL) was added an aromatic amine (40 mmol). The resulting amine salt suspension was cooled to 0-5°C. A solution of NaNO2 (5.52 g, 80 mmol) in H2O (12 mL) and KI (16.6 g, 100 mmol) in H2O (12 mL) were added sequentially. The reaction mixture was stirred for 10 minutes, then allowed to warm to ambient temperature and stirred until all the amine was consumed. To the reaction mixture were then added H2O (700 mL), NaHCO3 (1M; until pH=9-10) and Na2S2O3 (2M, 80 mL). The reaction mixture was extracted with EtOAc and purified by column chromatography (hexanes:EtOAc, 9:1 v/v) to give 2'-iodoacetophenone:yellow oil in 94% yield.
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