4,6-Diamino-1,3-benzenedisulfonic acid supplier

Name
1,3-PHENYLENEDIAMINE-4,6-DISULFONIC ACID
EINECS 205-298-8
CAS No. 137-50-8
Article Data10
CAS DataBase
Density 1.922 g/cm³
Solubility 1000g/L at 25℃
Melting Point
Formula C₆H₈N₂O₆S₂
Boiling Point 540.02℃[at 101 325 Pa]
Molecular Weight 268.271
Flash Point
Transport Information
Appearance Slight reddish gray wet cake
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Benzenedisulfonicacid, 4,6-diamino- (6CI,8CI);1,3-Diamino-4,6-benzenedisulfonic acid;1,3-Phenylenediamine-4,6-disulfonic acid;2,4-Diamino-1,5-benzenedisulfonicacid;4,6-Diamino-1,3-benzenedisulfonic acid;4,6-Diamino-m-benzenedisulfonicacid;4,6-Disulfo-1,3-diaminobenzene;
PSA 177.54000
LogP 2.66840

4,6-Diamino-1,3-benzenedisulfonic acid Specification

The 4,6-Diamino-1,3-benzenedisulfonic acid, with the CAS registry number 137-50-8, is also known as 1,3-Phenylenediamine-4,6-disulfonic acid. Its EINECS number is 205-298-8. This chemical's molecular formula is C₆H₈N₂O₆S₂ and molecular weight is 268.27. What's more, its systematic name is 4,6-Diamino-1,3-benzenedisulfonic acid. This chemcial can be used as dye intermediates.

Physical properties of 4,6-Diamino-1,3-benzenedisulfonic acid are: (1)ACD/LogP: -3.576; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -8.08; (4)ACD/LogD (pH 7.4): -8.08; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 177.54 Å²; (13)Index of Refraction: 1.713; (14)Molar Refractivity: 54.687 cm³; (15)Molar Volume: 139.547 cm³; (16)Polarizability: 21.68×10^-24cm³; (17)Surface Tension: 109.2 dyne/cm; (18)Density: 1.922 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(c(cc1N)N)S(=O)(=O)O
(2)Std. InChI: InChI=1S/C6H8N2O6S2/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14)
(3)Std. InChIKey: YADSWTKOIHUSDX-UHFFFAOYSA-N

Product Name

1,3-PHENYLENEDIAMINE-4,6-DISULFONIC ACID

4,6-Diamino-1,3-benzenedisulfonic acid Specification

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