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19398-61-9

Basic Information
CAS No.: 19398-61-9
Name: Benzene,1,4-dichloro-2-methyl-
Article Data: 16
Cas Database
Molecular Structure:
Molecular Structure of 19398-61-9 (Benzene,1,4-dichloro-2-methyl-)
Formula: C7H6Cl2
Molecular Weight: 161.031
Synonyms: Toluene,2,5-dichloro- (8CI);1,4-Dichloro-2-methylbenzene;NSC 86117;
EINECS: 243-032-2
Density: 1.242 g/cm3
Melting Point: 4-5 °C
Boiling Point: 197.444 °C at 760 mmHg
Flash Point: 79.444 °C
Solubility: Miscible with ethanol, ethyl ether, chloroform. Insoluble in water
Appearance: clear colourless to light yellow liquid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 36/37/38-20
Safety: 24/25
Transport Information: UN 3082
PSA: 0.00000
LogP: 3.30180
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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