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117-61-3

Basic Information
CAS No.: 117-61-3
Name: 2,2'-Benzidinedisulfonic acid
Article Data: 18
Molecular Structure:
Molecular Structure of 117-61-3 (2,2'-Benzidinedisulfonic acid)
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: IrritantXi
Risk Codes: 20/21/22-37/38-36
Safety: 22-26-36
PSA: 177.54000
LogP: 4.33540
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  • 2,2'-Benzidinedisulfonic Acid (contains 30% Water at MaxiMuM)

  • Casno:

    117-61-3

    2,2'-Benzidinedisulfonic Acid (contains 30% Water at MaxiMuM)

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  • Benzidine-2,2'-disulfonic acid

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    Benzidine-2,2'-disulfonic acid

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  • 2,2'-Benzidinedisulfonic acid

  • Casno:

    117-61-3

    2,2'-Benzidinedisulfonic acid

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  • 2,2'-Benzidinedisulfonic Acid (contains 30% Water at MaxiMuM)

  • Casno:

    117-61-3

    2,2'-Benzidinedisulfonic Acid (contains 30% Water at MaxiMuM)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • 2,2'-Benzidinedisulfonic acid

  • Casno:

    117-61-3

    2,2'-Benzidinedisulfonic acid

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Consensus Reports

Reported in EPA TSCA Inventory.

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.