CAS No.3379-38-2,1,3-DIPHENOXYBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3379-38-2
Name:	1,3-DIPHENOXYBENZENE
Article Data:	16

Formula:	C₁₈H₁₄O₂
Molecular Weight:	262.308
Synonyms:	Benzene,m-diphenoxy- (6CI,7CI,8CI);1,3-Diphenoxybenzene;m-3 F2 E;m-Diphenoxybenzene;m-Diphenyloxybenzene;m-Phenoxyphenoxybenzene;
EINECS:	222-181-7
Density:	1.137 g/cm³
Melting Point:	59-61 °C(lit.)
Boiling Point:	374.2 °C at 760 mmHg
Flash Point:	145.8 °C
Appearance:	white crystals or crystalline powder
Safety:	24/25
PSA:	18.46000
LogP:	5.27120

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Specification

This chemical is called Benzene, 1,3-diphenoxy-, and it can also be named as 1,3-Diphenoxybenzene. With the molecular formula of C₁₈H₁₄O₂, its molecular weight is 262.3. The CAS registry number of this chemical is 3379-38-2. The EINECS number of this chemical is 222-181-7. Additionally, this chemical should be sealed in the ventilated and dry place at the temperature of 2-8 °C. And this chemical should be avoided direct sunshine.

Other characteristics of the Benzene, 1,3-diphenoxy- can be summarised as follows: (1)ACD/LogP: 6.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.2; (4)ACD/LogD (pH 7.4): 6.2; (5)ACD/BCF (pH 5.5): 30376.73; (6)ACD/BCF (pH 7.4): 30376.73; (7)ACD/KOC (pH 5.5): 56258.4; (8)ACD/KOC (pH 7.4): 56258.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 79.13 cm³; (15)Molar Volume: 230.6 cm³; (16)Polarizability: 31.37 ×10^-24 cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.137 g/cm³; (19)Flash Point: 145.8 °C; (20)Enthalpy of Vaporization: 59.72 kJ/mol; (21)Boiling Point: 374.2 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-05 mmHg at 25°C.

Uses of this chemical: The 2,6-diphenoxy-benzoic acid could be obtained by the reactants of carbon dioxide and Benzene, 1,3-diphenoxy-. This reaction needs the reagents of TMEDA and BuLi, and the solvent of hexane. The yield is 77 %. This reaction should be taken for 1 hour.

When you are using this chemical, please be cautious about it as following: When you use this chemical, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccccc1)c3cccc(Oc2ccccc2)c3
2.InChI: InChI=1/C18H14O2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h1-14H
3.InChIKey: JTNRGGLCSLZOOQ-UHFFFAOYAM