117-61-3

Name 2,2'-Benzidinedisulfonic acid
CAS 117-61-3
EINECS(EC#) 204-200-0
Molecular Formula C12H12N2O6S2
MDL Number MFCD00041885
Molecular Weight 344.36
MOL File 117-61-3.mol
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Chemical Properties

Appearance PURPLE CRYSTALLINE POWDER
Melting point  175°C
Boiling point  638.25°C[at 101 325 Pa]
density  1.5417 (rough estimate)
vapor pressure  0Pa@25°C
refractive index  1.6510 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  1.033g/L[in organic solvents at 20 °C]
form  Powder
pka -1.85±0.50(Predicted)
color  Dark purple
Water Solubility  <0.1 g/100 mL at 20 ºC
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)
InChIKey MBJAPGAZEWPEFB-UHFFFAOYSA-N
SMILES C1(C2=CC=C(N)C=C2S(O)(=O)=O)=CC=C(N)C=C1S(O)(=O)=O
LogP 1.102 at 24℃
CAS DataBase Reference 117-61-3(CAS DataBase Reference)
EPA Substance Registry System 117-61-3(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319-H335
Precautionary statements  P280a-P304+P340-P305+P351+P338-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Hazard Codes  Xi
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes.
Safety Statements 
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RTECS  DV5230000
TSCA  Yes
REACH Registrations Inactive
HS Code  29215900
Toxicity
eye-rbt 500 mg/24H SEV 28ZPAK -,191,72

Hazard Information

Material Safety Data Sheet(MSDS)

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