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trans-Stilbene

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trans-Stilbene

EINECS 203-098-5
CAS No. 103-30-0 Density 1.044 g/cm3
PSA 0.00000 LogP 3.85700
Solubility Insoluble in water Melting Point 122 - 124 °C
Formula C14H12 Boiling Point 307 °C at 760mmHg
Molecular Weight 180.249 Flash Point 128.5 °C
Transport Information WJ4926500 Appearance off-white crystalline powder
Safety 26-36/37-61 Risk Codes 22-36-51/53
Molecular Structure Molecular Structure of 103-30-0 (trans-Stilbene) Hazard Symbols HarmfulXn, DangerousN
Synonyms

Benzene,1,1'-(1,2-ethenediyl)bis-, (E)-;Stilbene, (E)- (8CI);Stilbene, trans- (7CI);(E)-1,2-Diphenylethene;(E)-1,2-Diphenylethylene;(E)-Stilbene;1,1'-(1E)-1,2-Ethenediylbis[benzene];NSC 2069;trans-1,2-Diphenylethene;trans-1,2-Diphenylethylene;trans-Diphenylethene;trans-Stilbene;trans-a,b-Diphenylethylene;

Article Data 2065

trans-Stilbene Consensus Reports

Reported in EPA TSCA Inventory.

trans-Stilbene Specification

The IUPAC name of this chemical is (E)-stilbene. With the CAS registry number 103-30-0, it is also named as trans-1,2-Diphenylethylene. The product's categories are Stilbenes (substituted); Stilbenes. It is off-white crystalline powder which is insoluble in water, slightly soluble in ethanol, soluble in ether and benzene and sensitive to air and light. In addition, this chemical may react vigorously with strong oxidizing agents and react exothermically with reducing agents to release gaseous hydrogen. Furthermore, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.886; (4)ACD/LogD (pH 7.4): 3.886; (5)ACD/BCF (pH 5.5): 528.661; (6)ACD/BCF (pH 7.4): 528.661; (7)ACD/KOC (pH 5.5): 3096.373; (8)ACD/KOC (pH 7.4): 3096.373; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.659; (13)Molar Refractivity: 63.647 cm3; (14)Molar Volume: 172.641 cm3; (15)Polarizability: 25.231×10-24 cm3; (16)Surface Tension: 42.95 dyne/cm; (17)Enthalpy of Vaporization: 52.573 kJ/mol; (18)Vapour Pressure: 0.001 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 180.0939; (21)MonoIsotopic Mass: 180.0939; (22)Heavy Atom Count: 14; (23)Complexity: 149.

Preparation of trans-Stilbene: It can be derived from dehydration of benzoin (2-phenyl-hydroxy ethyl ketone or benzoin, [579-44-2]) in the presence of zinc amalgam.

Uses of trans-Stilbene: It is one of the gain mediums used in dye lasers. And it also can be used as raw materials in organic synthesis. Moreover, this chemical is used in manufacture of dyes and optical brighteners, and also as a phosphor and a scintillator.  

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but aslso irritating to eyes. And it is also toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES:c1ccc(cc1)/C=C/c2ccccc2
2. InChI:InChI=1/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6500mg/kg (6500mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 14, Pg. 227, 1979.
mouse LD50 oral 920mg/kg (920mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 14, Pg. 227, 1979.

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