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| CAS No.: | 1656-44-6 |
|---|---|
| Name: | 2,4-DINITROBENZENESULFONYL CHLORIDE |
| Molecular Structure: | |
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|
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| Formula: | C6H3ClN2O6S |
| Molecular Weight: | 266.619 |
| Synonyms: | 2,4-Dinitrobenzenesulfonylchloride;2,4-Dinitrophenylsulfonylchloride; |
| EINECS: | 216-749-3 |
| Density: | 1.78 g/cm3 |
| Melting Point: | 101-103 °C(lit.) |
| Boiling Point: | 418.081 °C at 760 mmHg |
| Flash Point: | 206.648 °C |
| Solubility: | Reacts with water. |
| Appearance: | yellow crystalline powder |
| Hazard Symbols: |
 T, C
|
| Risk Codes: | 34-65-48/23/24/25-46-45 |
| Safety: | 53-26-36/37/39-45-62 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 134.16000 |
| LogP: | 3.55770 |
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Specification
The Benzenesulfonylchloride, 2,4-dinitro-, with the CAS registry number 1656-44-6 and EINECS registry number 216-749-3, has the systematic name of 2,4-dinitrobenzenesulfonyl chloride. It is a kind of yellow crystalline powder, and belongs to the following product categories: Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. And the molecular formula of this chemical is C6H3ClN2O6S.
The physical properties of Benzenesulfonylchloride, 2,4-dinitro- are as following: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.88; (6)ACD/BCF (pH 7.4): 24.88; (7)ACD/KOC (pH 5.5): 347.35; (8)ACD/KOC (pH 7.4): 347.35; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 134.16 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 52.46 cm3; (15)Molar Volume: 149.7 cm3; (16)Polarizability: 20.7×10-24cm3; (17)Surface Tension: 72 dyne/cm; (18)Density: 1.78 g/cm3; (19)Flash Point: 206.6 °C; (20)Enthalpy of Vaporization: 64.55 kJ/mol; (21)Boiling Point: 418.1 °C at 760 mmHg; (22)Vapour Pressure: 8.18E-07 mmHg at 25°C.
Uses of Benzenesulfonylchloride, 2,4-dinitro-: It can react with C-pyridin-4-yl-methylamine to produce 2,4-Dinitro-N-(4-pyridylmethyl)benzenesulfonamide. This reaction will need reagent pyridine, and the solvent diethyl ether. The reaction time is 2 hours with ambient temperature, and the yield is about 45%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
(2)InChI: InChI=1/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
(3)InChIKey: SSFSNKZUKDBPIT-UHFFFAOYAY