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| CAS No.: | 98-35-1 |
|---|---|
| Name: | 4-Amino-3-chlorobenzenesulfonic acid |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H6ClNO3S |
| Molecular Weight: | 207.638 |
| Synonyms: | Sulfanilicacid, 3-chloro- (7CI,8CI);2-Chloroaniline-4-sulfonic acid;3-Chlorosulfanilicacid;NSC 59701; |
| EINECS: | 202-660-7 |
| Density: | 1.642 g/cm3 |
| PSA: | 88.77000 |
| LogP: | 2.83090 |
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- Total:27 Page 1 of 1 1
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Specification
The 4-Amino-3-chlorobenzenesulfonic acid with the cas number 98-35-1 is also called Benzenesulfonic acid,4-amino-3-chloro-. Its EINECS registry number is 202-660-7. The molecular formula is C6H6ClNO3S. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.67; (4)ACD/LogD (pH 7.4): -2.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.99 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 45.54 cm3; (15)Molar Volume: 126.4 cm3; (16)Polarizability: 18.05×10-24cm3; (17)Surface Tension: 69.7 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1N)S(=O)(=O)O
(2)InChI: InChI=1/C6H6ClNO3S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H,9,10,11)
(3)InChIKey: NEECEUZBAHTVIN-UHFFFAOYAG