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CAS No.: | 831-81-2 |
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Name: | 4-CHLORODIPHENYLMETHANE |
Article Data: | 116 |
Molecular Structure: | |
Formula: | C13H11Cl |
Molecular Weight: | 202.683 |
Synonyms: | Methane,(p-chlorophenyl)phenyl- (6CI,7CI,8CI);(4-Chlorophenyl)phenylmethane;(p-Chlorophenyl)phenylmethane;1-Benzyl-4-chlorobenzene;1-Chloro-4-benzylbenzene;4-Benzylchlorobenzene;4-Chlorodiphenylmethane;NSC83166;Phenyl(p-chlorophenyl)methane;p-Chlorobenzylbenzene;p-Chlorodiphenylmethane;(p-Chlorophenyl)phenylmethane;1-Benzyl-4-chlorobenzene;Benzene, 1-chloro-4- (phenylmethyl)-;Methane, (4-chlorophenyl)phenyl-;p-Chlorobenzylbenzene; |
Density: | 1.121 g/cm3 |
Melting Point: | 7 °C |
Boiling Point: | 289.4 °C at 760 mmHg |
Flash Point: | 122 °C |
Hazard Symbols: | Xi |
PSA: | 0.00000 |
LogP: | 3.93080 |
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The Benzene,1-chloro-4-(phenylmethyl)-, with the CAS registry number 831-81-2, has the systematic name and IUPAC name of 1-benzyl-4-chlorobenzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H11Cl.
The characteristics of Benzene,1-chloro-4-(phenylmethyl)- are as followings: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.8; (4)ACD/LogD (pH 7.4): 4.8; (5)ACD/BCF (pH 5.5): 2627.82; (6)ACD/BCF (pH 7.4): 2627.82; (7)ACD/KOC (pH 5.5): 9757.59; (8)ACD/KOC (pH 7.4): 9757.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 60.46 cm3; (15)Molar Volume: 180.7 cm3; (16)Polarizability: 23.96×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.121 g/cm3; (19)Flash Point: 122 °C; (20)Enthalpy of Vaporization: 50.75 kJ/mol; (21)Boiling Point: 289.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00383 mmHg at 25°C.
Preparation of Benzene,1-chloro-4-(phenylmethyl)-: This chemical can be prepared by benzene and 1-chloro-4-chloromethyl-benzene. The reaction will need catalyst lithium tetrakis(pentafluorophenyl)borate. The reaction time is 8 hours with heating, and the yield is about 100%.
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, gloves and eye/face protection, 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: Clc1ccc(cc1)Cc2ccccc2
(2)InChI: InChI=1/C13H11Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
(3)InChIKey: NPOGRKGIBGKRNI-UHFFFAOYAD