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CAS No.: | 7700-27-8 |
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Name: | 4-BENZYLOXYCHLOROBENZENE |
Article Data: | 39 |
Molecular Structure: | |
Formula: | C13H11ClO |
Molecular Weight: | 218.683 |
Synonyms: | p-(Benzyloxy)chlorobenzene;p-Chlorophenyl benzyl ether;Ether,benzyl p-chlorophenyl (6CI,8CI);1-Chloro-4-(phenylmethoxy)benzene;4-Chlorophenyl benzyl ether;Benzyl 4-chlorophenyl ether;Benzyl p-chlorophenylether; |
Density: | 1.175 g/cm3 |
Melting Point: | 70 °C |
Boiling Point: | 321 °C at 760 mmHg |
Flash Point: | 149 °C |
Hazard Symbols: | Xi |
PSA: | 9.23000 |
LogP: | 3.91900 |
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The Benzene, 1-chloro-4-(phenylmethoxy)-, with the CAS registry number 7700-27-8, is also known as Benzyl 4-chlorophenyl ether. This chemical's molecular formula is C13H11ClO and molecular weight is 218.68. What's more, its IUPAC name is 1-Chloro-4-phenylmethoxybenzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzene, 1-chloro-4-(phenylmethoxy)- are: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.48; (4)ACD/LogD (pH 7.4): 4.48; (5)ACD/BCF (pH 5.5): 1483.48; (6)ACD/BCF (pH 7.4): 1483.48; (7)ACD/KOC (pH 5.5): 6480.39; (8)ACD/KOC (pH 7.4): 6480.39; (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: 1.584; (14)Molar Refractivity: 62.31 cm3; (15)Molar Volume: 186 cm3; (16)Polarizability: 24.7×10-24 cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 149 °C; (20)Enthalpy of Vaporization: 54.04 kJ/mol; (21)Boiling Point: 321 °C at 760 mmHg; (22)Vapour Pressure: 0.000574 mmHg at 25 °C.
Preparation of Benzene, 1-chloro-4-(phenylmethoxy)-: this chemical is prepared by Benzyloxy-benzene. This reaction needs reagents NaClO2, Mn(acac)3, moist Kaolin. Meanwhile, it needs solvent CH2Cl2. The reaction time is 60 minutes with reaction temperature of 25 °C. The yield is about 99 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc(OCc1ccccc1)cc2
(2) InChI: InChI=1/C13H11ClO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
(3) InChIKey: OBCBJNFGAMHBTC-UHFFFAOYAD