cis-Stilbene (HCID 5356785)

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 물성

XLogP: 4.8
극성 표면적: 0 Å²
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 · 2건

LIQUID

YELLOW OIL

SolubilityCOMPLETELY SOL IN COLD ABSOLUTE ALCOHOL

Boiling Point · 2건

293 °F at 13 mmHg (NTP, 1992)

135 DEG @ 10 MM HG

Melting Point · 2건

41 to 43 °F (NTP, 1992)

1 °C

물리화학적 성질

녹는점: -5 °C · -5°C
끓는 점: 82 · 82-84 °C0.4 mm Hg(lit.)
밀도: 1.011 g/mL · 1.011 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.622(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Yellow to Green
수용성: 물과 섞이지 않습니다. 에탄올과 혼합 가능.
Merck: 14 · 14,8817
BRN: 1616739 · 1616739
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11-
InChIKey: PJANXHGTPQOBST-QXMHVHEDSA-N
SMILES: c1ccc(cc1)\C=C/c2ccccc2
LogP: 4.83 · 4.830 (est)
EPA: cis-Stilbene (645-49-8)

화학적 성질

pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 2건

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.

안전 및 보호

Fire FightingFires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

안전 데이터

wgk: 3
rtecs: DA0513600
HS 번호: 29029090
risk_code: 36/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-32198
스토리지 클래스: 10 - Combustible liquids
유해 물질 데이터: 645-49-8(Hazardous Substances Data)

화학 및 산업

약리 정보

Metabolism/Metabolites · 3건

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 · 2건

Used as a research chemical; [HSDB]

RESEARCH CHEMICAL

U.S. Exports · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) No Data

(1979) No Data

U.S. Production · 2건

(1977) NOT COMMERCIALLY PRODUCED IN US

(1979) NOT COMMERCIALLY PRODUCED IN US

Methods of Manufacturing · 1건

...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

일반 설명Oily 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.