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CAS No.: | 3290-01-5 |
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Name: | 2,3-Dichlorobenzyl chloride |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H5Cl3 |
Molecular Weight: | 195.476 |
Synonyms: | Toluene, a,2,3-trichloro- (7CI,8CI);2,3-Dichloro-1-(chloromethyl)benzene; |
EINECS: | 221-947-8 |
Density: | 1.386 g/cm3 |
Boiling Point: | 250.809 °C at 760 mmHg |
Flash Point: | 160.158 °C |
Solubility: | Insoluble in water |
Appearance: | Clear colorless liquid |
Hazard Symbols: | C |
Risk Codes: | 34-22 |
Safety: | 45-36/37/39-26 |
Transport Information: | UN 1760 |
PSA: | 0.00000 |
LogP: | 3.73220 |
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The 2,3-Dichlorobenzyl chloride, with the CAS registry number 3290-01-5, is also known as Benzene, 1,2-dichloro-3-(chloromethyl)-. Its EINECS registry number is 221-947-8. This chemical's molecular formula is C7H5Cl3 and molecular weight is 195.47. What's more, both its IUPAC name and systematic name are the same which is called 1,2-Dichloro-3-(chloromethyl)benzene. It should be stored in a dry and well-ventilated place at ambient temperature.
Physical properties about 2,3-Dichlorobenzyl chloride are: (1)ACD/LogP: 3.734; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 405.32; (6)ACD/BCF (pH 7.4): 405.32; (7)ACD/KOC (pH 5.5): 2560.16; (8)ACD/KOC (pH 7.4): 2560.16; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 45.809 cm3; (15)Molar Volume: 141.03 cm3; (16)Polarizability: 18.16×10-24cm3; (17)Surface Tension: 39.817 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 160.158 °C; (20)Enthalpy of Vaporization: 46.835 kJ/mol; (21)Boiling Point: 250.809 °C at 760 mmHg; (22)Vapour Pressure: 0.0340 mmHg at 25 °C.
Uses of 2,3-Dichlorobenzyl chloride: it is used to produce other chemicals. For example, it can react with phosphorous acid triethyl ester to get (2,3-dichloro-benzyl)-phosphonic acid diethyl ester. This reaction temperature is 180 °C and reaction time is 4 hours. The yield is 83 %.
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and it is harmful if swallowed. It may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cccc1Cl)CCl
(2) InChI: InChI=1S/C7H5Cl3/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
(3) InChIKey: AIPJZPPOFWCJRC-UHFFFAOYSA-N