CAS No.103-30-0,trans-Stilbene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	103-30-0
Name:	trans-Stilbene
Article Data:	2065

Formula:	C₁₄H₁₂
Molecular Weight:	180.249
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;
EINECS:	203-098-5
Density:	1.044 g/cm³
Melting Point:	122 - 124 °C
Boiling Point:	307 °C at 760mmHg
Flash Point:	128.5 °C
Solubility:	Insoluble in water
Appearance:	off-white crystalline powder
Hazard Symbols:	Xn, N
Risk Codes:	22-36-51/53
Safety:	26-36/37-61
Transport Information:	WJ4926500
PSA:	0.00000
LogP:	3.85700

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Consensus Reports

Reported in EPA TSCA Inventory.

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.