Product Name

  • Name

    3-[ethyl[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrile

  • EINECS 240-646-2
  • CAS No. 16588-67-3
  • Density 1.32g/cm3
  • Solubility
  • Melting Point
  • Formula C20H21 N5 O2 S2
  • Boiling Point 695.7°Cat760mmHg
  • Molecular Weight 427.551
  • Flash Point 374.5°C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 16588-67-3 (3-[ethyl[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrile)
  • Hazard Symbols
  • Synonyms Propanenitrile,3-[ethyl[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-(9CI); Propionitrile,3-[N-ethyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]-m-toluidino]- (8CI)
  • PSA 135.40000
  • LogP 6.24438

Disperse Red 88 Chemical Properties

Molecular Structure of Disperse Red 88 (CAS NO.16588-67-3):

IUPAC Name: 3-[N-Ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile 
Molecular Formula: C20H21N5O2S2
Molecular Weight: 427.54
EINECS: 240-646-2 
XLogP3-AA: 4.3
H-Bond Donor: 0
H-Bond Acceptor: 7
Index of Refraction: 1.659
Molar Refractivity: 119.11 cm3
Molar Volume: 322.7 cm3
Surface Tension: 53 dyne/cm
Density: 1.32 g/cm3
Flash Point: 374.5 °C
Enthalpy of Vaporization: 101.89 kJ/mol
Boiling Point: 695.7 °C at 760 mmHg
Vapour Pressure: 3.34E-19 mmHg at 25 °C
Product Categories: Organics
Canonical SMILES: CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C
InChI: InChI=1S/C20H21N5O2S2/c1-4-25(11-5-10-21)15-6-8-17(14(2)12-15)23-24-20-22-18-9-7-16(29(3,26)27)13-19(18)28-20/h6-9,12-13H,4-5,11H2,1-3H3
InChIKey: IMWICXCTLULCFP-UHFFFAOYSA-N

Disperse Red 88 Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 National Technical Information Service. Vol. OTS0534338,
mouse LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 National Technical Information Service. Vol. OTS0534338,
rat LD50 intraperitoneal 1600mg/kg (1600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 National Technical Information Service. Vol. OTS0534338,
rat LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 National Technical Information Service. Vol. OTS0534338,

Disperse Red 88 Specification

 Disperse Red 88 (CAS NO.16588-67-3), its Synonyms are 3-(Ethyl(3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)propanenitrile ; 3-(Ethyl(3-methyl-4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)phenyl)amino)propiononitrile ; Propanenitrile, 3-(ethyl(3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)- ; Propanenitrile, 3-(ethyl(3-methyl-4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)- ; Propanenitrile,3-[ethyl[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-(9CI) ; Propionitrile,3-[N-ethyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]-m-toluidino]- (8CI) .

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