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CAS No.: | 6331-96-0 |
---|---|
Name: | 3,4-Dichloroaniline-6-sulfonic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H5Cl2NO3S |
Molecular Weight: | 242.083 |
Synonyms: | NSC 37399;2-Amino-4,5-dichlorobenzenesulfonicacid;3,4-Dichloroaniline-6-sulfonic acid; |
Density: | 1.749 g/cm3 |
Melting Point: | 8-10°C(lit.) |
Boiling Point: | 270°C(lit.) |
Flash Point: | 270°F |
Appearance: | white to yellowish powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 88.77000 |
LogP: | 3.48430 |
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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
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.
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].