기본 정보
- CAS
7189-69-7- 표준 SMILES
O=S(=O)(n1ccnc1)n1ccnc1- InChIKey
ZLKNPIVTWNMMMH-UHFFFAOYSA-N- 분자식
- C6H6N4O2S
- 평균 분자량
- 198.21 g/mol
- 단동위원소 질량
- 198.02114662
이름 및 식별자
- 우선 이름
- 1,1'-sulphonylbis-1H-imidazole
- IUPAC
- 1-imidazol-1-ylsulfonylimidazole
- 현지명
- 1,1′-술포닐디이미다졸
- 영어명
- 1,1'-Sulfonyldiimidazole
- 분자식
- C6H6N4O2S
- 분자량
- 198.2
이름 및 동의어
1,1'-Sulfonyldiimidazole7189-69-71,1'-Sulphonylbis-1H-imidazoleEINECS 230-554-0DTXSID30222152RefChem:409322DTXCID30144643230-554-01-imidazol-1-ylsulfonylimidazoleN,N'-Sulfonyldiimidazole(SDI)1H-Imidazole, 1,1'-sulfonylbis-MFCD00015893
이름 더 보기
1,1′-술포닐디이미다졸1,1'-설포닐디이미다졸SDISULFONYLDIIMIDAZOLE1,1'-Sulfonylbis(1H-imidazole)N,N'- thiimide1,1'-Sulfonyldiimida1,1'-SufonyldiimidazoleN,N'-SULFONYLDIIMIDAZOLE-Sulfonylbis(1H-imidazole)
1-(1H-imidazole-1-sulfonyl)-1H-imidazoleN,N'-Sulfuryldiimidazole1,1 inverted exclamation marka-SulfonyldiimidazoleAKOS009157421CS-W010544SY0172991-(1H-Imidazol-1-ylsulfonyl)-1H-imidazole #N,N'-Sulfonyldiimidazole (SDI)
데이터베이스 식별자
- CAS
7189-69-7- PubChem CID
- 81609
- DTXSID
DTXSID30222152- EC Number
- 230-554-0
- Nikkaji
- J227.431K
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 78.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 251
물리화학적 성질
- 녹는점
- 135 · 135-137 °C(lit.)
- 끓는 점
- 471 · 471.0±28.0 °C(Predicted)
- 밀도
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 메탄올에 용해됨
- 산도 계수 (pKa)
- 0.11 · 0.11±0.10(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 가벼운 크림
- InChI
- InChI=1S/C6H6N4O2S/c11-13(12,9-3-1-7-5-9)10-4-2-8-6-10/h1-6H
- InChIKey
- ZLKNPIVTWNMMMH-UHFFFAOYSA-N
- SMILES
- S(N1C=NC=C1)(N1C=NC=C1)(=O)=O
화학적 성질
Light cream crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
안전 데이터
- wgk
- 3
- HS 번호
- 29350090
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도1,1′-Sulfonyldiimidazole may be used in the preparation of stable 1:1 complexes of benziodoxole. It may be used in the synthesis of 2,3′-anhydro-2′-deoxyribonucleosides.
일반 설명The mol-ecule of 1,1′-sulfonyldiimidazole, is reported to possess a pseudo-twofold rotation axis of symmetry passing through the S atom. It undergoes one pot Suzuki Coupling reaction to afford 1-phenylnaphthalene.
상·하류 제품 정보
상류 원료
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