4,4'-BIS(트리플루오로메틸)-2,2'-디니트로디페닐디설파이드

Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)

HCID 13336CAS 860-39-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1SSc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey
YDCXWQUDQRHVHZ-UHFFFAOYSA-N
분자식
C14H6F6N2O4S2
평균 분자량
444.3 g/mol
단동위원소 질량
443.96731799

개요

See also: Bis(2-nitro-4-(trifluoromethyl)phenyl)disulfide (annotation moved to).

이름 및 식별자

우선 이름
Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)
IUPAC
2-nitro-1-[[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzene
현지명
4,4'-BIS(트리플루오로메틸)-2,2'-디니트로디페닐디설파이드
영어명
4,4'-Bis(trifluoromethyl)-2,2'-dinitrodiphenyl disulfide
분자식
C14H6F6N2O4S2
분자량
444.33

이름 및 동의어

Disulfide, bis[2-nitro-4-(trifluoromethyl)phenyl]Bis[2-nitro-4-(trifluoromethyl)phenyl] disulfideNSC 77119BRN 2230031Bis(2-nitro-4-trifluoromethylphenyl) disulfideDisulfide, bis(2-nitro-4-(trifluoromethyl)phenyl)DTXSID8061218DISULFIDE, BIS(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)4-06-00-02215 (Beilstein Handbook Reference)Disulfide, bis(alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl)Bis(2-nitro-4-(trifluoromethyl)phenyl) disulfideRefChem:589797
이름 더 보기
4,4'-BIS(트리플루오로메틸)-2,2'-디니트로디페닐디설파이드usafma-92-Nitro-4-trifluoroMethylphenyl disulfidebis(2-nitro-4-trifluoromethylphenyl)disulfideBIS(A,A,A-TRIFLUORO-2-NITRO-P-TOLYL) DISULFIDEBis(α,α,α-trifluoro-2-nitro-p-tolyl) Disulfidedisulfide,bis[2-nitro-4-(trifluoromethyl)phenyl]4,4-BIS(TRIFLUOROMETHYL)-2,2'-DINITRODIPHENYL DISULFIDE4,4'-DI(TRIFLUOROMETHYL)-2,2-DINITRODIPHENYL DISULPHIDE4,4'-Bis(trifluoromethyl)-2,2'-dinitrodiphenyldisulphide4,4'-Bis(trifluoromethyl)-2,2'-dinitrodiphenyldisulphide
DTXCID40485192NITRO4(TRIFLUOROMETHYL)PHENYL DISULFIDEDisulfide, bis(2nitro4(trifluoromethyl)phenyl)Disulfide, bis(2nitroalpha,alpha,alphatrifluoroptolyl)Disulfide, bis(alpha,alpha,alphatrifluoro2nitroptolyl)Disulfide, bis(alpha,alpha,alphatrifluoro2nitroptolyl) (8CI)Disulfide, bis(alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl) (8CI)860-39-9

데이터베이스 식별자

CAS
860-39-9
PubChem CID
13336
DTXSID
DTXSID8061218
ChEMBL
CHEMBL120110
Nikkaji
J42.232K

물성

구조 계산 물성

XLogP
5.1
극성 표면적
142 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
12
회전 가능 결합 수
3
무거운 원자 수
28

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

물리화학적 성질

녹는점
157 · 157-160°C
끓는 점
426.6 · 426.6±45.0 °C(Predicted)
밀도
1.6554 · 1.6554 (estimate)
물리적 상태
고체
EPA
2 · Disulfide, bis[2-nitro-4-(trifluoromethyl)phenyl] (860-39-9)

안전 및 규제

유해성 정보

Hazards SummaryIntraperitoneal LD50 (mouse) = 50 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS]

안전 데이터

tsca
TSCA listed
ridadr
2811
HS 번호
2930909899
risk_code
23/24/25
hazard_code
T
safety_code
36/37/39-45

화학 및 산업

용도 및 제조

General Manufacturing InformationDisulfide, bis[2-nitro-4-(trifluoromethyl)phenyl]: INACTIVE

응용 분야

용도Bis(α,α,α-trifluoro-2-nitro-p-tolyl) Disulfide is used in preparation of ((phenylthio)indolyl)alkylamides as Poxvirus inhibitor for treatment of vaccinia virus infections.

상·하류 제품 정보

공급사21 곳

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]

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