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Name |
Benzene,1,4-bis(chloromethyl)-2,5-bis(octyloxy)- |
EINECS | N/A |
CAS No. | 174230-68-3 | Density | 1.017 g/cm3 |
PSA | 18.46000 | LogP | 8.64280 |
Solubility | N/A | Melting Point |
79-83 °C(lit.) |
Formula | C24H40Cl2O2 | Boiling Point | 514.6 °C at 760 mmHg |
Molecular Weight | 431.486 | Flash Point | 132.9 °C |
Transport Information | N/A | Appearance | White to light yellow crystal powde |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,5-Bis(chloromethyl)-1,4-dioctyloxybenzene; |
Article Data | 3 |
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