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CAS No.: | 117-61-3 |
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Name: | 2,2'-Benzidinedisulfonic acid |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C12H12N2O6S2 |
Molecular Weight: | 344.369 |
Synonyms: | 2,2'-Biphenyldisulfonicacid, 4,4'-diamino- (6CI,7CI,8CI);2,2'-Benzidinedisulfonic acid;2,2'-Disulfo-4,4'-diaminobiphenyl;2,2'-Disulfobenzidine;4,4'-Diaminobiphenyl-2,2'-bis(sulfonic acid);4,4'-Diaminobiphenyl-2,2'-disulfonic acid;6,6'-Bimetanilic acid;NSC 3763; |
EINECS: | 204-200-0 |
Density: | 1.681 g/cm3 |
Melting Point: | 175 °C |
Boiling Point: | 638.25℃[at 101 325 Pa] |
Solubility: | <0.1 g/100 mL at 20 °C |
Appearance: | Purple crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-37/38-36 |
Safety: | 22-26-36 |
PSA: | 177.54000 |
LogP: | 4.33540 |
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Reported in EPA TSCA Inventory.
The 2,2'-Benzidinedisulfonic acid with CAS registry number of 117-61-3 is also known as Benzidine-2,2'-disulphonic acid. The IUPAC name is 5-Amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid. It belongs to product categories of Intermediates of Dyes and Pigments; Biphenyl & Diphenyl Ether. Its EINECS registry number is 204-200-0. In addition, the formula is C12H12N2O6S2 and the molecular weight is 344.36. This chemical is a purple powder and should be stored in ventilated, cool place away from oxidants and heat.
Physical properties about 2,2'-Benzidinedisulfonic acid are: (1)ACD/LogP: -2.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.87; (4)ACD/LogD (pH 7.4): -6.92; (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: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 5 ; (12)Index of Refraction: 1.702; (13)Molar Refractivity: 79.39 cm3; (14)Molar Volume: 204.8 cm3; (15)Surface Tension: 85.6 dyne/cm; (16)Density: 1.681 g/cm3.
Uses of 2,2'-Benzidinedisulfonic acid: it is used for organic synthesis and also used to produce 3,7-diamino-dibenzofuran. The reaction occurs with reagents H2O, NaOH at the temperature of 280 °C for 16 hours. The yield is about 20%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. Do not breathe gas/fumes/vapour/spray. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C2=C(C=C(C=C2)N)S(=O)(=O)O
2. InChI: InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,
19,20)
3. InChIKey: MBJAPGAZEWPEFB-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 285, 1953. |