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2,5-Dichlorotoluene

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Name

2,5-Dichlorotoluene

EINECS 243-032-2
CAS No. 19398-61-9 Density 1.242 g/cm3
PSA 0.00000 LogP 3.30180
Solubility Miscible with ethanol, ethyl ether, chloroform. Insoluble in water Melting Point 4-5 °C
Formula C7H6Cl2 Boiling Point 197.444 °C at 760 mmHg
Molecular Weight 161.031 Flash Point 79.444 °C
Transport Information UN 3082 Appearance clear colourless to light yellow liquid
Safety 24/25 Risk Codes 36/37/38-20
Molecular Structure Molecular Structure of 19398-61-9 (2,5-DICHLOROTOLUENE) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

Toluene,2,5-dichloro- (8CI);1,4-Dichloro-2-methylbenzene;NSC 86117;

Article Data 16

2,5-Dichlorotoluene Specification

The 2,5-Dichlorotoluene, with the CAS registry number 19398-61-9, is also known as Toluene, 2,5-dichloro- (8CI). It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Organics; Halogen toluene; Chlorine Compounds; Aryl; C7; Halogenated Hydrocarbons; Alpha Sort; Analytical Standards; Aromatics Chemical Class; Chemical Class; ChloroVolatiles/ Semivolatiles; D; D Alphabetic; Halogenated. Its EINECS number is 243-032-2. This chemical's molecular formula is C7H6Cl2 and molecular weight is 161.03. What's more, its systematic name is 1,4-Dichloro-2-methylbenzene. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, heat and fire. It is used as a solvent and an organic synthesis intermediate. Taking o-chlorotoluene as raw material, 2,5-Dichlorotoluen is synthesized via catalytic chlorination process.

Physical properties of 2,5-Dichlorotoluene are: (1)ACD/LogP: 4.039; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 691.67; (6)ACD/BCF (pH 7.4): 691.67; (7)ACD/KOC (pH 5.5): 3753.21; (8)ACD/KOC (pH 7.4): 3753.21; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 40.868 cm3; (14)Molar Volume: 129.61 cm3; (15)Polarizability: 16.201×10-24cm3; (16)Surface Tension: 35.63 dyne/cm; (17)Density: 1.242 g/cm3; (18)Flash Point: 79.444 °C; (19)Enthalpy of Vaporization: 41.591 kJ/mol; (20)Boiling Point: 197.444 °C at 760 mmHg; (21)Vapour Pressure: 0.53 mmHg at 25°C.

Uses of 2,5-Dichlorotoluene: it can be used to produce 2,5-dichloro-4-nitro-toluene at the ambient temperature. It will need reagents conc. H2SO4, HNO3 and solvent acetic acid with the reaction time of 2 hours. The yield is about 56%.

2,5-Dichlorotoluene can be used to produce 2,5-dichloro-4-nitro-toluene at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation. When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Cl)c(c1)C
(2)Std. InChI: InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
(3)Std. InChIKey: KFAKZJUYBOYVKA-UHFFFAOYSA-N  

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