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M-CRESOL PURPLE, SODIUM SALT Structure

M-CRESOL PURPLE, SODIUM SALT

  • Product NameM-CRESOL PURPLE, SODIUM SALT
  • CAS62625-31-4
  • CBNumberCB2367972
  • MFC21H17NaO5S
  • MW405.42
  • EINECS263-656-9
  • MDL NumberMFCD00010177
  • MOL File62625-31-4.mol

Chemical Properties

Melting point: >250°C
storage temp.  room temp
solubility  Solubility Soluble in water, ethanol
pka 1.51, 8.32(at 25℃)
form  Powder
color  Orange-brown to black
PH Range 1.2(red)-2.8(yellow) 7.4(yellow)-9(purple)
Water Solubility  Soluble in water.
λmax 436nm
ε(extinction coefficient) ≥15000 at 433-439nm in H2O at 0.008g/L
Major Application Screening method of endocrine disrupting chemicals
InChI 1S/C21H18O5S.Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26;/h3-12,22H,1-2H3,(H,24,25,26);/q;+1/p-1/b21-18+;
InChIKey BYQJYOOKENJSNK-GOSREXKOSA-M
SMILES [Na+].Cc1cc(O)ccc1\C(=C2\C=CC(=O)C=C2C)c3ccccc3S([O-])(=O)=O
CAS DataBase Reference 62625-31-4
EPA Substance Registry System Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[3-methyl-, monosodium salt (62625-31-4)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
PPE Eyeshields, Gloves, type N95 (US)
Safety Statements  22-24/25
WGK Germany  3
TSCA  TSCA listed
HS Code  29147000
Storage Class 11 - Combustible Solids
NFPA 704:
1
1 0

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