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Cas Database |
| Name |
4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acid |
EINECS | 245-309-3 |
| CAS No. | 22892-95-1 | Density | 1.848 g/cm3 |
| PSA | 125.64000 | LogP | 3.47790 |
| Solubility | N/A | Melting Point |
193-194 °C (decomp) |
| Formula | C7H3Cl2NO6S | Boiling Point | 495.008 °C at 760 mmHg |
| Molecular Weight | 300.076 | Flash Point | 253.172 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid;Benzoic acid,4-chloro-3-(chlorosulfonyl)-5-nitro-; |
Article Data | 7 |
4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acid Chemical Properties
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IUPAC Name: 4-Chloro-3-chlorosulfonyl-5-nitrobenzoic acid
Empirical Formula: C7H3Cl2NO6S
Molecular Weight: 300.0728
Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)Cl)C(=O)O
InChI: InChI=1S/C7H3Cl2NO6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)
InChIKey: AFRAGFLBINOHDV-UHFFFAOYSA-N
EINECS: 245-309-3
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 6
Index of Refraction: 1.626
Molar Refractivity: 57.53 cm3
Molar Volume: 162.4 cm3
Surface Tension: 74.3 dyne/cm
Density: 1.847 g/cm3
Flash Point: 253.2 °C
Enthalpy of Vaporization: 80.3 kJ/mol
Boiling Point: 495 °C at 760 mmHg
Vapour Pressure of 4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acid (CAS NO.22892-95-1): 1.29E-10 mmHg at 25 °C
4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acid Specification
4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acid (CAS NO.22892-95-1), its Synonyms are 4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid ; Benzoic acid, 4-chloro-3-(chlorosulfonyl)-5-nitro- .
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