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13790-14-2

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Basic Information
CAS No.: 13790-14-2
Name: 2,4-dichloro-3-nitrotoluene
Molecular Structure:
Molecular Structure of 13790-14-2 (2,4-dichloro-3-nitrotoluene)
Formula: C7H5Cl2NO2
Molecular Weight: 206.028
Synonyms: 2,4-Dichloro-3-nitrotoluene;
EINECS: 237-448-3
Density: 1.456 g/cm3
Boiling Point: 299.2 °C at 760 mmHg
Flash Point: 134.7 °C
PSA: 45.82000
LogP: 3.73320
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    2,4-DICHLORO-3-NITROTOLUENE

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  • 2,4-dichloro-3-nitrotoluene

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    2,4-dichloro-3-nitrotoluene

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Specification

The Benzene,1,3-dichloro-4-methyl-2-nitro-, with the CAS registry number 13790-14-2, is also known as 2,4-Dichloro-3-nitrotoluene. Its EINECS number is 237-448-3. This chemical's molecular formula is C7H5Cl2NO2 and molecular weight is 206.03. What's more, its systematic name is 1,3-dichloro-4-methyl-2-nitrobenzene.

Physical properties of Benzene,1,3-dichloro-4-methyl-2-nitro- are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.8; (6)ACD/BCF (pH 7.4): 157.8; (7)ACD/KOC (pH 5.5): 1303.22; (8)ACD/KOC (pH 7.4): 1303.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 47.41 cm3; (15)Molar Volume: 141.4 cm3; (16)Polarizability: 18.79×10-24cm3; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.456 g/cm3; (19)Flash Point: 134.7 °C; (20)Enthalpy of Vaporization: 51.76 kJ/mol; (21)Boiling Point: 299.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00215 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c([N+]([O-])=O)c(Cl)c(cc1)C
(2)Std. InChI: InChI=1S/C7H5Cl2NO2/c1-4-2-3-5(8)7(6(4)9)10(11)12/h2-3H,1H3
(3)Std. InChIKey: JPGMJOAPBGZPKD-UHFFFAOYSA-N