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trans-Stilbene (103-30-0)

Identification
Name:trans-Stilbene
Synonyms:trans-1,1-(1,2-Ethenediyl)bis(benzene); trans-1,2-Diphenylethylene
CAS:103-30-0
EINECS: 203-098-5
Molecular Formula: C14H12
Molecular Weight: 180.24
InChI: InChI=1/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+
Molecular Structure: (C14H12) trans-1,1-(1,2-Ethenediyl)bis(benzene); trans-1,2-Diphenylethylene
Properties
Transport:UN3077
Flash Point: 128.5°C
Density:0.97
Refractive index:1.658
Water Solubility:insoluble Stability Toxicology Harmful if swallowed. Chronic exposure may impair male fertility. Skin, eyeand respiratory irritant. Toxicity data (The meaning o
Solubility:insoluble

Appearance:off-white crystalline powder
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.

Report:

Reported in EPA TSCA Inventory.

Packinggroup: III
Flash Point: 128.5°C
Storage Temperature: 2-8°C
Color: Crystals from 95% ethanol
Colorless or slightly yellow crystals
Safety Data