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Benzidine-2,2'-disulphonic acid

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Name

Benzidine-2,2'-disulphonic acid

EINECS 204-200-0
CAS No. 117-61-3 Density 1.681 g/cm3
PSA 177.54000 LogP 4.33540
Solubility <0.1 g/100 mL at 20 °C Melting Point 175 °C
Formula C12H12N2O6S2 Boiling Point 638.25℃[at 101 325 Pa]
Molecular Weight 344.369 Flash Point N/A
Transport Information N/A Appearance Purple crystalline powder
Safety 22-26-36 Risk Codes 20/21/22-37/38-36
Molecular Structure Molecular Structure of 117-61-3 (2,2'-Benzidinedisulfonic acid) Hazard Symbols IrritantXi
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;

Article Data 18

Benzidine-2,2'-disulphonic acid Consensus Reports

Reported in EPA TSCA Inventory.

Benzidine-2,2'-disulphonic acid Specification

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%.

2,2'-Benzidinedisulfonic acid is used to produce 3,7-diamino-dibenzofuran.

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
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 285, 1953.

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