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CAS No.: | 3698-83-7 |
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Name: | 1,3-Dichloro-4,6-dinitrobenzene |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C6H2Cl2N2O4 |
Molecular Weight: | 236.999 |
Synonyms: | 1,5-Dichloro-2,4-dinitrobenzene;2,4-Dichloro-1,5-dinitrobenzene;4,6-Dichloro-1,3-dinitrobenzene;4,6-Dinitro-1,3-dichlorobenzene;NSC 28971; |
EINECS: | 223-027-1 |
Density: | 1.729 g/cm3 |
Melting Point: | 101-104 °C(lit.) |
Boiling Point: | 337.6 °C at 760 mmHg |
Flash Point: | 158 °C |
Solubility: | Insoluble in water. |
Appearance: | pale yellow crystallline powder |
Hazard Symbols: | Xi; N |
Risk Codes: | 50 |
Safety: | 61 |
Transport Information: | UN 3077 9/PG 3 |
PSA: | 91.64000 |
LogP: | 3.85620 |
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The Benzene,1,5-dichloro-2,4-dinitro-, with CAS registry number 3698-83-7, belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Nitro Compounds; (3)Nitrogen Compounds; (4)Organic Building Blocks. It has the systematic name of 1,5-dichloro-2,4-dinitrobenzene. This chemical is very toxic to aquatic organisms, so avoid release to the environment. Refer to special instructions / safety data sheets. The main use of this chemical is for organic synthesis.
Physical properties of Benzene,1,5-dichloro-2,4-dinitro-: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.03; (6)ACD/BCF (pH 7.4): 48.03; (7)ACD/KOC (pH 5.5): 556.21; (8)ACD/KOC (pH 7.4): 556.21; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.64 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 49.13 cm3; (15)Molar Volume: 137 cm3; (16)Polarizability: 19.47×10-24cm3; (17)Surface Tension: 65.6 dyne/cm; (18)Enthalpy of Vaporization: 55.78 kJ/mol; (19)Vapour Pressure: 0.000203 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,3-dichloro-benzene. This reaction will need reagent fuming nitric acid.
Uses of p-Chloropropiophenone: it can be used to produce 4,6-dinitro-m-phenylenediamine. This reaction will need reagents ethylene glycol, ammonia. The reaction temperature is 140 ℃.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(c(Cl)cc1Cl)[N+]([O-])=O
(2)InChI: InChI=1/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
(3)InChIKey: ZPXDNSYFDIHPOJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
(5)Std. InChIKey: ZPXDNSYFDIHPOJ-UHFFFAOYSA-N