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CAS No.: | 80199-92-4 |
---|---|
Name: | 1-(BENZYLOXY)-4-(3-BROMOPROPOXY)BENZENE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C16H17BrO2 |
Molecular Weight: | 321.214 |
Synonyms: | 1-[(3-Bromopropyl)oxy]-4-[(phenylmethyl)oxy]benzene;1-[3-(4-Benzyloxyphenoxy)propyl] bromide; |
Density: | 1.315 g/cm3 |
Melting Point: | 61-63 °C |
Boiling Point: | 427.707 °C at 760 mmHg |
Flash Point: | 184.851 °C |
Hazard Symbols: | Xi |
PSA: | 18.46000 |
LogP: | 4.42940 |
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The Benzene,1-(3-bromopropoxy)-4-(phenylmethoxy)- is an organic compound with the formula C16H17BrO2. The systematic name of this chemical is 1-(benzyloxy)-4-(3-bromopropoxy)benzene. With the CAS registry number 80199-92-4, it is also named as 1-[3-(4-Benzyloxyphenoxy)propyl] bromide. The product's category is API Intermediates.
Physical properties about Benzene,1-(3-bromopropoxy)-4-(phenylmethoxy)- are: (1)ACD/LogP: 4.51; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 3187; (5)ACD/BCF (pH 7.4): 3187; (6)ACD/KOC (pH 5.5): 11204; (7)ACD/KOC (pH 7.4): 11204; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 81.095 cm3; (13)Molar Volume: 244.335 cm3; (14)Polarizability: 32.149×10-24cm3; (15)Surface Tension: 42.667 dyne/cm; (16)Density: 1.315 g/cm3; (17)Flash Point: 184.851 °C; (18)Enthalpy of Vaporization: 65.631 kJ/mol; (19)Boiling Point: 427.707 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCOc2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C16H17BrO2/c17-11-4-12-18-15-7-9-16(10-8-15)19-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2
(3)InChIKey: GZQOBERZNSEHFJ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C16H17BrO2/c17-11-4-12-18-15-7-9-16(10-8-15)19-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2
(5)Std. InChIKey: GZQOBERZNSEHFJ-UHFFFAOYSA-N