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57864-19-4

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Basic Information
CAS No.: 57864-19-4
Name: P-(2-BENZOXAZOLYL)BENZYL CHLORIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 57864-19-4 (P-(2-BENZOXAZOLYL)BENZYL CHLORIDE)
Formula: C14H10ClNO
Molecular Weight: 243.69
Synonyms: 2-(4-(Chloromethyl)phenyl)benzoxazole;2-(p-α-Chlorotolyl)benzoxazole;
Density: 1.266 g/cm3
Boiling Point: 355.943 °C at 760 mmHg
Flash Point: 169.068 °C
PSA: 26.03000
LogP: 4.23360
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Specification

The Benzoxazole, 2-[4-(chloromethyl)phenyl]-, with the CAS registry number of 57864-19-4, is also known as p-(2-Benzoxazolyl)benzyl chloride. This chemical's molecular formula is C14H10ClNO and molecular weight is 243.69. What's more, its systematic name is called 2-[4-(Chloromethyl)phenyl]-1, 3-benzoxazole. In addition, it must be placed in a dry, cool place. Meanwhile, it should be avoided contact with moisture. Besides, it can be used as the raw materials for fluorescent whitening agent OB-1.

Physical properties about Benzoxazole, 2-[4-(chloromethyl)phenyl]- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1054; (6)ACD/BCF (pH 7.4): 1054; (7)ACD/KOC (pH 5.5): 5075; (8)ACD/KOC (pH 7.4): 5075; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.03 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 68.844 cm3; (15)Molar Volume: 192.547 cm3; (16)Surface Tension: 48.392 dyne/cm; (17)Density: 1.266 g/cm3; (18)Flash Point: 169.068 °C; (19)Enthalpy of Vaporization: 57.744 kJ/mol; (20)Boiling Point: 355.943 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1ccc(cc1)c2nc3ccccc3o2
(2) InChI: InChI=1/C14H10ClNO/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2
(3) InChIKey: AHWLBRDQAOEAMF-UHFFFAOYAF