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| CAS No.: | 13692-14-3 |
|---|---|
| Name: | ALPHA-(CHLOROMETHYL)-2,4-DICHLOROBENZYL ALCOHOL |
| Molecular Structure: | |
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| Formula: | C8H7Cl3O |
| Molecular Weight: | 225.502 |
| Synonyms: | Benzylalcohol, 2,4-dichloro-α-(chloromethyl)- (8CI);2,4-Dichloro-α-(chloromethyl)benzyl alcohol;2-Chloro-1-(2,4-dichlorophenyl)ethanol;α-(2,4-Dichlorophenyl)-β-chloroethanol;α-(Chloromethyl)-2,4-dichlorobenzylalcohol; |
| EINECS: | 237-206-7 |
| Density: | 1.447 g/cm3 |
| Melting Point: | 48-52 °C |
| Boiling Point: | 323.3 °C at 760 mmHg |
| Flash Point: | 149.3 °C |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 3.26560 |
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Specification
The Benzenemethanol, 2, 4-dichloro-α-(chloromethyl)-, with the CAS registry number 13692-14-3, is also known as α-(Chloromethyl)-2, 4-dichlorobenzylalcohol. Its EINECS registry number is 237-206-7. This chemical's molecular formula is C8H7Cl3O and molecular weight is 225.5. What's more, its systematic name is 2-Chloro-1-(2, 4-dichlorophenyl)ethanol. In addition, it must be stored in airtight containers and placed in a dry, cool place. During using it, you should avoid contacting with skin and eyes.
Physical properties about Benzenemethanol, 2, 4-dichloro-α-(chloromethyl)- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 63.54; (6)ACD/BCF (pH 7.4): 63.54; (7)ACD/KOC (pH 5.5): 679.56; (8)ACD/KOC (pH 7.4): 679.55; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 51.97 cm3; (15)Molar Volume: 155.7 cm3; (16)Polarizability: 20.6×10-24 cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.447 g/cm3; (19)Flash Point: 149.3 °C; (20)Enthalpy of Vaporization: 59.67 kJ/mol; (21)Boiling Point: 323.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000109 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)ccc1C(O)CCl
(2) InChI: InChI=1/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2
(3) InChIKey: XHEPANNURIQWRM-UHFFFAOYAK