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CAS No.: | 34145-05-6 |
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Name: | 2,5-Dichlorobenzyl alcohol |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H6Cl2O |
Molecular Weight: | 177.03 |
Synonyms: | Benzylalcohol, 2,5-dichloro- (8CI);(2,5-Dichlorophenyl)methanol;2,5-Dichlorobenzenemethanol;2,5-Dichlorobenzyl alcohol; |
EINECS: | 251-850-6 |
Density: | 1.392 g/cm3 |
Melting Point: | 79-80 °C (lit. ) |
Boiling Point: | 265.7 °C at 760 mmHg |
Flash Point: | 114.3 °C |
Appearance: | white fine crystalline powder |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 2.48570 |
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The Benzenemethanol, 2, 5-dichloro-, with the CAS registry number of 34145-05-6, is also known as 2, 5-Dichlorobenzylic alcohol and (2, 5-Dichloro-phenyl)-methanol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; C7 to C8; Oxygen Compounds. Its EINECS registry number is 251-850-6. This chemical's molecular formula is C7H6Cl2O and molecular weight is 177.03. What's more, its IUPAC name is (2, 5-Dichlorophenyl)methanol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant. Besides, ensure the work place is well-ventilated.
Physical properties about Benzenemethanol, 2, 5-dichloro- are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.45; (6)ACD/BCF (pH 7.4): 25.45; (7)ACD/KOC (pH 5.5): 353.03; (8)ACD/KOC (pH 7.4): 353.03; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 42.49 cm3; (15)Molar Volume: 127.1 cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.392 g/cm3; (18)Flash Point: 114.3 °C; (19)Enthalpy of Vaporization: 53.2 kJ/mol; (20)Boiling Point: 265.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00452 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 2, 5-Dichloro-benzaldehyde. This reaction will need reagent K2Cr2O7/H2SO4 and catalyst Triethylbenzylammonium chloride. Meanwhile, it needs solvents CH2Cl2 and H2O. The reaction time is 4 hours. The yield is about 98 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. Hence, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(Cl)cc1CO
(2) InChI: InChI=1/C7H6Cl2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
(3) InChIKey: LCEIGNVIDJNUGF-UHFFFAOYAC