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CAS No.: | 29921-41-3 |
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Name: | 2-CHLORODIPHENYLMETHANE |
Article Data: | 60 |
Molecular Structure: | |
Formula: | C13H11Cl |
Molecular Weight: | 202.683 |
Synonyms: | Methane,(o-chlorophenyl)phenyl- (6CI,7CI,8CI);(2-Chlorophenyl)phenylmethane;(o-Chlorobenzyl)benzene;1-Benzyl-2-chlorobenzene;1-Chloro-2-benzylbenzene;o-Chlorodiphenylmethane; |
Density: | 1.121 g/cm3 |
Melting Point: | 13.2 °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-2-(phenylmethyl)-, with the CAS registry number 29921-41-3, is also known as 2-Chlorodiphenylmethane. This chemical's molecular formula is C13H11Cl and molecular weight is 202.68. What's more, its IUPAC name is 1-Benzyl-2-chlorobenzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzene, 1-chloro-2-(phenylmethyl)- are: (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: 23.96×10-24 cm3; (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-2-(phenylmethyl)-: this chemical is prepared by 2-Chloro-benzophenone. The yield is about 42 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1Cc2ccccc2
(2) InChI: InChI=1/C13H11Cl/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
(3) InChIKey: IKKSPFNZXBWDQA-UHFFFAOYAO