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Cas Database |
| Name |
3,4-Dichloroaniline-6-sulfonic acid |
EINECS | N/A |
| CAS No. | 6331-96-0 | Density | 1.749 g/cm3 |
| PSA | 88.77000 | LogP | 3.48430 |
| Solubility | N/A | Melting Point |
8-10°C(lit.) |
| Formula | C6H5Cl2NO3S | Boiling Point | 270°C(lit.) |
| Molecular Weight | 242.083 | Flash Point | 270°F |
| Transport Information | N/A | Appearance | white to yellowish powder |
| Safety | 26-36 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
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| Synonyms |
NSC 37399;2-Amino-4,5-dichlorobenzenesulfonicacid;3,4-Dichloroaniline-6-sulfonic acid; |
Article Data | 3 |
3,4-Dichloroaniline-6-sulfonic acid Chemical Properties
IUPAC Name: 2-Amino-4,5-dichlorobenzenesulfonic acid
Following is the structure of Benzenesulfonic acid,2-amino-4,5-dichloro- (CAS NO.6331-96-0):
Empirical Formula: C6H5Cl2NO3S
Molecular Weight: 242.0798
Index of Refraction: 1.648
Molar Refractivity: 50.37 cm3
Molar Volume: 138.3 cm3
Density: 1.749 g/cm3
Surface Tension of Benzenesulfonic acid,2-amino-4,5-dichloro- (CAS NO.6331-96-0): 71.5 dyne/cm
Appearance of Benzenesulfonic acid,2-amino-4,5-dichloro- (CAS NO.6331-96-0): white to yellowish powder
Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)O)N
InChI: InChI=1S/C6H5Cl2NO3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,9H2,(H,10,11,12)
InChIKey: AKLDPNVZTZIVFA-UHFFFAOYSA-N
3,4-Dichloroaniline-6-sulfonic acid Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
3,4-Dichloroaniline-6-sulfonic acid Specification
Benzenesulfonic acid,2-amino-4,5-dichloro- , its cas register number 6331-96-0. It also can be called 3,4-Dichloroaniline-6-sulfonic acid ; and 2-Amino-4,5-dichlorobenzenesulfonic acid . Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
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