CAS No.946-80-5,BENZYL PHENYL ETHER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	946-80-5
Name:	BENZYL PHENYL ETHER
Article Data:	199

Formula:	C₁₃H₁₂O
Molecular Weight:	184.238
Synonyms:	Ether,benzyl phenyl (6CI,7CI,8CI);Anisole, a-phenyl-;Benzyl phenyl ether;Benzyloxybenzene;NSC77971;Phenyl benzyl ether;(Benzyloxy)benzene;Anisole, α-phenyl-;Benzene, (phenoxymethyl)-;Benzyl phenyl ether;
EINECS:	250-571-7
Density:	1.057 g/cm³
Melting Point:	39-41 °C(lit.)
Boiling Point:	287.1 °C at 760 mmHg
Flash Point:	110.8 °C
Solubility:	Insoluble in water.
Appearance:	Light brown-orange chunks
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	9.23000
LogP:	3.26560

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- China (Mainland)(36)
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Specification

The Benzene,(phenoxymethyl)-, with the CAS registry number 946-80-5, has the IUPAC name of phenoxymethylbenzene. It is a kind of light brown-orange chunks, and belongs to the following product categories: Ethers; Organic Building Blocks; Oxygen Compounds. And the molecular formula of the chemical is C₁₃H₁₂O.

The characteristics of Benzene,(phenoxymethyl)- are as followings: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 446.33; (6)ACD/BCF (pH 7.4): 446.33; (7)ACD/KOC (pH 5.5): 2743.02; (8)ACD/KOC (pH 7.4): 2743.02; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 57.41 cm³; (15)Molar Volume: 174.1 cm³; (16)Polarizability: 22.76×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.057 g/cm³; (19)Flash Point: 110.8 °C; (20)Enthalpy of Vaporization: 50.52 kJ/mol; (21)Boiling Point: 287.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00437 mmHg at 25°C.

Preparation of Benzene,(phenoxymethyl)-: This chemical can be prepared by chloromethyl-benzene and phenol. The reaction will need reagent K₂CO₃, and the menstruum aq. ethanol. The reaction time is 5 hours with temperature of 78°C, and the yield is about 98%.

Uses of Benzene,(phenoxymethyl)-: It can react with 1-methyl-piperazine to produce 1-methyl-4-phenyl-piperazine. This reaction will need reagent n-BuLi, and the menstruum hexane and tetrahydrofuran. And the yield is about 63%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccccc1)Cc2ccccc2
(2)InChI: InChI=1/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2
(3)InChIKey: BOTNYLSAWDQNEX-UHFFFAOYAS