white to light yellow crystal powdeChEBI: A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 2 and 4 are replaced by chlorines.
2,4-dichlorobenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 2 and 4 are replaced by chlorines. It has a role as an antiseptic drug. It is a member of benzyl alcohols and a dichlorobenzene.|Dichlorobenzyl alcohol is a mild antiseptic with a broad spectrum for bacterial and virus associated with mouth and throat infections. Dichlorobenzyl alcohol is considered as an active ingredient found in several marketed OTC products by Health Canada which has categorized this agent as an anatomical therapeutic chemical. On the other hand, dichlorobenzyl alcohol is categorized by the FDA in the inactive ingredient for approved drug products.
View more+(2,4-Dichlorophenyl)methanol 2,4-dichlorbenzyl alcohol 2,4-DICHLOROBENZYLALCOHOL Benzenemethanol, 2,4-dichloro- Benzenemethanol,2,4-dichloro EINECS 217-210-5 MFCD00004606
The IUPAC name of 2,4-Dichlorobenzyl alcohol is (2,4-dichlorophenyl)methanol. With the CAS registry number 1777-82-8, it is also named as Benzenemethanol, 2,4-dichloro-. The product's categories are Benzhydrols, Benzyl & Special Alcohols; Alcohols; C7 to C8; Oxygen Compounds. It is white to light yellow crystal powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.53; (6)ACD/BCF (pH 7.4): 29.53; (7)ACD/KOC (pH 5.5): 392.64; (8)ACD/KOC (pH 7.4): 392.64; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 42.49 cm3; (14)Molar Volume: 127.1 cm3; (15)Polarizability: 16.84×10-24 cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Enthalpy of Vaporization: 53.5 kJ/mol; (18)Vapour Pressure: 0.00382 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 175.97957; (21)MonoIsotopic Mass: 175.97957; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 10; (24)Complexity: 108.
Preparation of 2,4-Dichlorobenzyl alcohol: It can be obtained by 2,4-dichloro-benzaldehyde. This reaction needs reagent NiCl2 and NaBH4 and solvent tetrahydrofuran at temperature of 20 °C. The reaction time is 5 min. The yield is 81 %.
Uses of 2,4-Dichlorobenzyl alcohol: It is used as pharmaceutical intermediate. And it can react with 3-chloro-quinoxalin-2-ylamineto get 3-(2,4-dichloro-benzyloxy)-quinoxalin-2-ylamine. This reaction which is Etherification needs reagent NaH and solvent dioxane by heating. The reaction time is 1 hours. The yield is 31%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1cc(Cl)ccc1CO
2. InChI:InChI=1/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
3. InChIKey:DBHODFSFBXJZNY-UHFFFAOYAI
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3
Pictogram(s) | No symbol. |
---|---|
Signal word | No signal word. |
Hazard statement(s) | H412 Harmful to aquatic life with long lasting effects |
Precautionary statement(s) | |
Prevention | P273 Avoid release to the environment. |
Response | none |
Storage | none |
Disposal | P501 Dispose of contents/container to ... |
none