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174230-68-3

Basic Information
CAS No.: 174230-68-3
Name: 2 5-BIS(CHLOROMETHYL)-1 4-BIS(OCTYLOXY)&
Article Data: 3
Molecular Structure:
Molecular Structure of 174230-68-3 (2 5-BIS(CHLOROMETHYL)-1 4-BIS(OCTYLOXY)&)
Formula: C24H40Cl2O2
Molecular Weight: 431.486
Synonyms: 2,5-Bis(chloromethyl)-1,4-dioctyloxybenzene;
Density: 1.017 g/cm3
Melting Point: 79-83 °C(lit.)
Boiling Point: 514.6 °C at 760 mmHg
Flash Point: 132.9 °C
Appearance: White to light yellow crystal powde
Safety: 22-24/25
PSA: 18.46000
LogP: 8.64280
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Specification

The Benzene,1,4-bis(chloromethyl)-2,5-bis(octyloxy)-, with the CAS registry number 174230-68-3, is also known as 2,5-Bis(chloromethyl)-1,4-dioctyloxybenzene. It belongs to the product categories of Organic Electronics and Photonics; Polyphenylenevinylene (PPV, CN-PPV) Monomers; Synthetic Tools and Reagents. This chemical's molecular formula is C24H40Cl2O2 and molecular weight is 431.48. What's more, its systematic name is 1,4-bis(chloromethyl)-2,5-bis(octyloxy)benzene. When you are using this chemical, please be cautious about it. Do not breathe dust. What's more, you should avoid contact with skin and eyes.

Physical properties of Benzene,1,4-bis(chloromethyl)-2,5-bis(octyloxy)- are: (1)ACD/LogP: 10.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.08; (4)ACD/LogD (pH 7.4): 10.08; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7209116; (8)ACD/KOC (pH 7.4): 7209116; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 124 cm3; (15)Molar Volume: 423.9 cm3; (16)Polarizability: 49.15×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.017 g/cm3; (19)Flash Point: 132.9 °C; (20)Enthalpy of Vaporization: 75.66 kJ/mol; (21)Boiling Point: 514.6 °C at 760 mmHg; (22)Vapour Pressure: 3.44E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cc(OCCCCCCCC)c(cc1OCCCCCCCC)CCl
(2)InChI: InChI=1/C24H40Cl2O2/c1-3-5-7-9-11-13-15-27-23-17-22(20-26)24(18-21(23)19-25)28-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3
(3)InChIKey: MPZDRVMBDAPSSQ-UHFFFAOYAB