(Z)-1,2-디페닐에텐
cis-Stilbene
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기본 정보
- CAS
645-49-8- 표준 SMILES
C(=C/c1ccccc1)/c1ccccc1- InChIKey
PJANXHGTPQOBST-QXMHVHEDSA-N- 분자식
- C14H12
- 평균 분자량
- 180.24 g/mol
- 단동위원소 질량
- 180.09390038
개요
Cis-stilbene is an oily yellow liquid. Freezing point 5 °C. Insoluble in water. Soluble in ethanol. Unstable relative to the trans isomer, which is a solid with a melting point of 122-124 °C.
이름 및 식별자
- 우선 이름
- cis-Stilbene
- IUPAC
- (Z)-stilbene
- 현지명
- (Z)-1,2-디페닐에텐
- 영어명
- cis-Stilbene
- 분자식
- C14H12
- 분자량
- 180.25
이름 및 동의어
cis-Stilbene(Z)-1,2-Diphenylethene(Z)-Stilbene645-49-8cis-1,2-DiphenylethyleneIsostilbenecis-DiphenyletheneStilbene, (Z)-Z-stilbene[(Z)-2-Phenylethenyl]benzene(Z)-1,2-DiphenylethyleneCCRIS 5932
이름 더 보기
(Z)-1,2-디페닐에텐cis-1,2-DiphenyletheneStilbebeNsc66424CIS-BIBENZALCIS-STILBEBEDibenzal(cis)
DTXSID5026049Benzene, 1,1'-(1,2-ethenediyl)bis-, (Z)-HSDB 4270Stilbene, cis-EINECS 211-445-7NSC 66424TTG5048Y3KBenzene, 1,1'-(1Z)-1,2-ethenediylbis-
데이터베이스 식별자
- CAS
645-49-8- PubChem CID
- 5356785
- DTXSID
DTXSID5026049- ChEMBL
CHEMBL393702- ChEBI
CHEBI:36008- UNII
- TTG5048Y3K
- EC Number
- 211-445-7
- Nikkaji
- J7.069F
물성
구조 계산 물성보충 중
- XLogP
- 4.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 148
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Color/Form
LIQUID
YELLOW OIL
SolubilityCOMPLETELY SOL IN COLD ABSOLUTE ALCOHOL
Boiling Point
293 °F at 13 mmHg (NTP, 1992)
135 DEG @ 10 MM HG
Melting Point
41 to 43 °F (NTP, 1992)
1 °C
Vapor Pressure0.00686 [mmHg]
Refractive IndexINDEX OF REFRACTION: 1.6188 @ 25 °C/D; MAX ABSORPTION (95% ETHANOL): 278 NM (E= 10,200)
Physical Description
Cis-stilbene is an oily yellow liquid. Freezing point 5 °C. Insoluble in water. Soluble in ethanol. Unstable relative to the trans isomer, which is a solid with a melting point of 122-124 °C.
Yellow liquid; [HSDB] Colorless or pale yellow liquid; [MSDSonline]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (88.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzene, 1,1'-(1,2-ethenediyl)bis-, (Z)-
Benzene, 1,1'-(1Z)-1,2-ethenediylbis-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Hazards SummaryEffects after intraperitoneal injection of rats include liver changes; TDLo = 361 mg/kg; [RTECS] An irritant; [MSDSonline] See trans-1,2-Diphenylethylene.
Reactive GroupHydrocarbons, Aromatic
Reactivity ProfileCIS-STILBENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release gaseous hydrogen.
Air and Water ReactionsSensitive to prolonged exposure to air and light [Lancaster]. Insoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (88.4%)
Explosive Limits and PotentialSEE OXYGEN. AN EXPLOSION WAS OBSERVED @ AUTO-OXIDN OF DIPHENYLETHYLENE WITH OXYGEN UNDER HIGH PRESSURE @ LOW TEMP. /DIPHENYLETHYLENE/
화학 및 산업
약리 정보
Metabolism/Metabolites
CIS-STILBENE IS CONVERTED VIA THE CIS-EPOXIDE BY RABBIT-LIVER MICROSOMES INTO THREO-1,2-DIPHENYL-1,2-ETHANEDIOL, & TRANS-STILBENE VIA THE TRANS-EPOXIDE INTO THE CORRESPONDING MESO-ISOMER. A SOL FRACTION FROM RABBIT LIVER CATALYZED INTERCONVERSION OF THESE ISOMERIC DIOLS VIA BENZOIN FORMATION.
CIS-STILBENE IS OXYGENATED BY RABBIT-LIVER MICROSOMES TO CIS-STILBENE OXIDE... OBSERVED ONLY AFTER VERY SHORT INCUBATION TIMES. RATIO OF OXYGENASE TO HYDRATASE ACTIVITIES DECR RAPIDLY WITH TIME SO THAT THREO-STILBENE GLYCOL IS MAJOR...PRODUCT.
INCUBATION OF CIS-STILBENE WITH RABBIT LIVER MICROSOMES IN PRESENCE OF NADPH YIELDED THREO-STILBENE GLYCOL & A TRACE OF MESOSTILBENE GLYCOL.
용도 및 제조
Uses
Used as a research chemical; [HSDB]
RESEARCH CHEMICAL
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT COMMERCIALLY PRODUCED IN US
(1979) NOT COMMERCIALLY PRODUCED IN US
Methods of Manufacturing
...CIS-FORM BY COPPER-CHROMITE DECARBOXYLATION OF ALPHA-PHENYLCINNAMIC ACID: BUCKLES, WHEELER, ORG SYN COLL VOL IV, 857 (1963). SYNTH OF CIS...FORMS BY WITTIG REACTION & BY DECARBOXYLATION OF PHENYLCINNAMIC ACIDS: WHEELER, BATLLE DE PABON, J ORG CHEM 30, 1473 (1965).
응용 분야
용도cis-Stilbene: stilbene and its natural derivatives such as resveratrol and vitisins inhibits Staphylococcus aureus hemolytic activity and biofilm formation without affecting its bacterial growth
Oily yellow liquid. Freezing point 5°C. Insoluble in water. Soluble in ethanol. Unstable relative to the trans isomer, which is a solid with a melting point of 122-124°C.
관련 반응
17건
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