N-아이오도석신이미드
N-Iodosuccinimide
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기본 정보
- CAS
516-12-1- 표준 SMILES
O=C1CCC(=O)N1I- InChIKey
LQZMLBORDGWNPD-UHFFFAOYSA-N- 분자식
- C4H4INO2
- 평균 분자량
- 224.98 g/mol
- 단동위원소 질량
- 224.92868
이름 및 식별자
- 우선 이름
- N-Iodosuccinimide
- IUPAC
- 1-iodopyrrolidine-2,5-dione
- 현지명
- N-아이오도석신이미드
- 영어명
- N-Iodosuccinimide
- 분자식
- C4H4INO2
- 분자량
- 224.98
이름 및 동의어
N-Iodosuccinimide516-12-11-Iodopyrrolidine-2,5-dioneSucciniodimide2,5-Pyrrolidinedione, 1-iodo-1-iodo-2,5-pyrrolidinedione3COS3X3N4PCHEBI:53204DTXSID10199550RefChem:163587DTXCID70122041208-221-6
이름 더 보기
N-아이오도석신이미드IodosuccinimideN-lodosuccinimide1-iodo-5-pyrrolidinedioneN-iododiimideN-Iodouccinimide
N-Iodosuccinimide (NIS)C4H4INO2MFCD00005512Succinimide, N-iodo-NISUNII-3COS3X3N4PEINECS 208-221-62,5-Dioxo-1-iodopyrrolidine
데이터베이스 식별자
- CAS
516-12-1- PubChem CID
- 120273
- DTXSID
DTXSID10199550- ChEBI
CHEBI:53204- UNII
- 3COS3X3N4P
- EC Number
- 208-221-6
- Nikkaji
- J6.303G
물성
구조 계산 물성보충 중
- XLogP
- -0.2
- 극성 표면적
- 37.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 129
물리화학적 성질
- 녹는점
- 202 · 202-206 °C(lit.)
- 끓는 점
- 249.6 · 249.6±23.0 °C(Predicted)
- 밀도
- 2 · 2,245 g/cm3
- 저장 조건
- 2 · 2-8°C
- 용해도
- 디옥산, 테트라히드로푸란 및 아세토니트릴에 용해됩니다. 에테르와 사염화탄소에 불용성.
- 산도 계수 (pKa)
- -2.57 · -2.57±0.20(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 흰색-노란색에서 갈색까지
- 수용성
- 물에서 분해되다
- Merck
- 14 · 14,5045
- BRN
- 113917 · 113917
- 안정성
- 수분에 민감한
- InChI
- 1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2
- InChIKey
- LQZMLBORDGWNPD-UHFFFAOYSA-N
- SMILES
- IN1C(=O)CCC1=O
화학적 성질
white-yellow to brown crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 8% (7 of 87) of reports.
Warning
H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (90.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (90.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.4%): 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 87 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 7 of 87 reports by companies.；There are 17 notifications provided by 80 of 87 reports by companies with hazard statement code(s).；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 Information
Status: Active Update: 17-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/25034
2,5-Pyrrolidinedione, 1-iodo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (85.1%)；Skin Irrit. 2 (90.8%)；Eye Irrit. 2 (90.8%)；STOT SE 3 (87.4%)
규제 정보
Regulatory Information
화학 및 산업
응용 분야
용도N-Iodosuccinimide is a iodo substituted succinimide that is used as an iodinating agent in chemical synthesis.
제조 방법
To a solution of 39.2g of succinimide in 1200ml of boiling water was added 51.0g of freshly precipitated silver oxide, the mixture was filtered and the silver salt was allowed to crystallize. Filtration and washing with cold water furnished 45.0g of the silver salt of succinimide suitable for the iodination step. The finely powdered salt (49.5g) was added in portions with stirring to a solution of 50.8g of iodine in 300ml of acetone, the temperature being maintained at 5-10°C. After decolorization (30 min.), the silver iodide was filtered, the solvent was removed under reduced pressure at room temperature and the residue was washed with ether, yielding 43g of N-iodosuccinimide with mp 189-191°C. An analytical sample (85% recovery) was obtained by dissolving in the minimum quantity of hot dioxane and precipitating with carbon tetrachloride; colorless needles, mp 200-201°C. Ref: JACS 75, 3493 (1953)
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
2,200건
화합물 노트
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