3,5-Dichlorobenzoyl chloride

1. Introduction of 3,5-Dichlorobenzoyl chloride
3,5-Dichlorobenzoyl chloride is an organic compound with the formula C₇H₃Cl₃O, and its systematic name is the same with the product name. With the CAS registry number 2905-62-6, it is also named as Benzoyl chloride, 3,5-dichloro-. It belongs to the product categories of Acidhalide; Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS number is 220-813-6. In addition, the molecular weight is 209.46. Its classification code is Skin / Eye Irritant. This chemical should be sealed and stored in a cool and dry place. It can be used as pesticides, pharmaceutical, organic and inorganic intermediate.

2. Properties of 3,5-Dichlorobenzoyl chloride
Physical properties of 3,5-Dichlorobenzoyl chloride are: (1)ACD/LogP: 3.225; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 166.43; (6)ACD/BCF (pH 7.4): 166.43; (7)ACD/KOC (pH 5.5): 1353.86; (8)ACD/KOC (pH 7.4): 1353.86; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 46.287 cm³; (15)Molar Volume: 139.743 cm³; (16)Polarizability: 18.35×10^-24cm³; (17)Surface Tension: 45.46 dyne/cm; (18)Density: 1.499 g/cm³; (19)Flash Point: 102.121 °C; (20)Enthalpy of Vaporization: 48.636 kJ/mol; (21)Boiling Point: 249.142 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25°C.

3. Structure Descriptors of 3,5-Dichlorobenzoyl chloride
(1)SMILES: Clc1cc(C(Cl)=O)cc(Cl)c1
(2)Std. InChI: InChI=1S/C7H3Cl3O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H
(3)Std. InChIKey: GGHLXLVPNZMBQR-UHFFFAOYSA-N

4. Toxicity of 3,5-Dichlorobenzoyl chloride

5. Safety Information of 3,5-Dichlorobenzoyl chloride
Hazard Symbols:C
Risk Codes:
R34:Causes burns.
R36/37:Irritating to eyes and respiratory system.
Safety Description:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing. 
S28:After contact with skin, wash immediately with plenty of soap-suds. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

6. Preparation of 3,5-Dichlorobenzoyl chloride
3,5-Dichlorobenzoyl chloride can be prepared by o-aminobenzoic acid as raw materials through chlorinated, diazotization and acyl chlorination. The yield is about 86%.

7. Use of 3,5-Dichlorobenzoyl chloride
3,5-Dichlorobenzoyl chloride can be used to produce (3,5-dichloro-phenyl)-(1H-pyrrol-2-yl)-methanone at the ambient temperature. It will need reagent SnCl₄ and solvent CH₂Cl₂ with the reaction time of 24 hours. The yield is about 38%.

8. Other details of 3,5-Dichlorobenzoyl chloride
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to eyes and respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. You should take off immediately all contaminated clothing. After contact with skin, you must wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell, you need to seek medical advice immediately (show the label where possible).