기본 정보
- 표준 SMILES
O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-]- InChIKey
NXCKJENHTITELM-UHFFFAOYSA-N- 분자식
- C12H8N2O4S2
- 평균 분자량
- 308.3 g/mol
- 단동위원소 질량
- 307.99254874
이름 및 식별자
- 우선 이름
- Disulfide, bis(2-nitrophenyl)
- IUPAC
- 1-nitro-2-[(2-nitrophenyl)disulfanyl]benzene
- 영어명
- Bis(2-nitrophenyl) disulfide
- 분자식
- C12H8N2O4S2
- 분자량
- 308.33
이름 및 동의어
Bis(2-nitrophenyl) disulfide1155-00-6Disulfide, bis(2-nitrophenyl)o-Nitrophenyl disulfide2,2'-Dinitrodiphenyl disulfideBis(o-nitrophenyl) disulfideDisulfide, bis(o-nitrophenyl)o,o'-Dinitrodiphenyl disulfideNSC 203Bis(2-nitrophenyl) disulphideEINECS 214-581-5AI3-08905
이름 더 보기
NSC 6461262,2'-DinitroBis(2-nitrophenyl) dO-NITROPHENYLDISULFIDEDI-2-NITROPHENYL DISULFIDEO-DINITRODIPHENYL DISULFIDEBis(2-nitropheny1)disulfide2-NITROPHENYL DISULFIDE 95%
DTXSID1061572RefChem:589798DTXCID7033369Disulfide, bis(o-nitrophenyl) (8CI)214-581-52-Nitrophenyl Disulfide1,2-bis(2-nitrophenyl)disulfane1-Nitro-2-[(2-nitrophenyl)disulfanyl]benzene
데이터베이스 식별자
- CAS
1155-00-6- PubChem CID
- 70861
- DTXSID
DTXSID1061572- ChEMBL
CHEMBL121560- UNII
- V96F666S32
- EC Number
- 214-581-5
- Nikkaji
- J60.269H
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 324
실험 및 물리화학적 성질
SpringerMaterials PropertiesCrystal structure
LogP3.37
물리화학적 성질
- 녹는점
- 194 · 194-197 °C (lit.)
- 끓는 점
- 441.9 · 441.9±30.0 °C(Predicted)
- 밀도
- 1.62 g/cm3 · 1.62 g/cm3 (-123.16℃)
- 굴절률
- 1.651 · 1.6510 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 색상
- 밝은 노란색에서 갈색까지
- BRN
- 1016770 · 1016770
- InChI
- 1S/C12H8N2O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H
- InChIKey
- NXCKJENHTITELM-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccccc1SSc2ccccc2[N+]([O-])=O
- NIST
- Bis(o-nitrophenyl)disulfide(1155-00-6)
- EPA
- Disulfide, bis(2-nitrophenyl) (1155-00-6)
화학적 성질
yellow to yellow-green crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 97.4% (37 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29309099
- safety_code
- 22-24/25
- 스토리지 클래스
- 4.1A - Other explosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing InformationDisulfide, bis(2-nitrophenyl): INACTIVE
응용 분야
용도Bis(o-Nitrophenyl) Disulfide, can be used in a PVC membrane electrode as a sensor for zinc ions. It is also a building block used for the synthesis of various pharmaceutical compounds. It can be used for the preparation of a series of 4-Azaindole inhibitors of c-Met kinase.
일반 설명PVC membrane electrode based on bis(2-nitrophenyl)disulfide carrier acts as sensor for zinc ions. Bis(2-nitrophenyl) disulphide undergoes mechanochemical grinding with bis(4-chlorophenyl)disulfide in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene catalyst via metathesis reaction to yield non-symmetrical heterodimer 4-chlorophenyl-2′-nitrophenyl disulfide.
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