기본 정보
- CAS
98358-90-8- 표준 SMILES
CN(C)S(=O)(=O)c1ccc(F)c2nonc12- InChIKey
YZWANFXENNWOOR-UHFFFAOYSA-N- 분자식
- C8H8FN3O3S
- 평균 분자량
- 245.23 g/mol
- 단동위원소 질량
- 245.02704046
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
- IUPAC
- 7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
- 현지명
- 4-(N,N-디메틸아미노술포닐)-7-FLUORO-2,1,3-BENZOXADIAZOLE
- 영어명
- 4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
- 분자식
- C8H8FN3O3S
- 분자량
- 245.23
이름 및 동의어
98358-90-84-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazoleDBD-F4-(N,N-Dimethylaminosulphonyl)-7-fluoro-2,1,3-benzoxadiazole4-Benzofurazansulfonamide, 7-fluoro-N,N-dimethyl-DTXSID00243556RefChem:97522DTXCID301660477-Fluoro-N,N-dimethylbenzo[c][1,2,5]oxadiazole-4-sulfonamide7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamideMFCD00143356DBD-F [=4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole] [for HPLC Labeling]
이름 더 보기
4-(N,N-디메틸아미노술포닐)-7-FLUORO-2,1,3-BENZOXADIAZOLEDBD-F 7-Fluoro-N,N-diMethyl-4-(DIMETHYLSULFAMOYL)-7-FLUORO-BENZO7-Fluoro-N,N-dimethylbenzofurazan-4-sulfonamide4-(N,N-Dimethylaminosulfonyl)-7-fluoro-[2,1,3]-N,N-Dimethyl-7-fluorobenzofurazane-4-sulfonamide7-FLUORO-4-(N,N-DIMETHYLAMINOSULFONYL)BENZOFURAZAN4-(Dimethylsulfamoyl)-7-fluoro-2,1,3-benzoxadiazole
C8H8FN3O3S1-Vinylcyclohex-3-en-1-ol4-(N,N-Dimethylsulfamoyl)-7-fluorobenzofurazanSCHEMBL18935224-(n,n-dimethylaminosulfonyl)-7-fluoro-[2,1,3]benzoxadiazoleSBB099976AKOS015850760BP-41766
데이터베이스 식별자
- CAS
98358-90-8- PubChem CID
- 126917
- DTXSID
DTXSID00243556- EC Number
- 670-964-0
- Nikkaji
- J254.891G
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 84.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 356
물리화학적 성질
- 녹는점
- 123 · 123-128 °C
- 끓는 점
- 360.8 · 360.8±52.0 °C(Predicted)
- 밀도
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- -4.13 · -4.13±0.50(Predicted)
- 색상
- White to Light yellow to Light orange
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2934999090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10
- 위험 참고 사항
- Irritant
화학 및 산업
응용 분야
용도4-(N,N-dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole is used in the synthesis of conjugated spermine derivatives with 7-nitrobenzoxadiazole (NBD), rhodamine and bodipy as new fluorescent probes for the polyamine transport system.
상·하류 제품 정보
상류 원료
공급사36 곳
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