Product Name

  • Name

    4-Ethylsulfonylnaphthanele-1-sulfonamide

  • EINECS
  • CAS No. 842-00-2
  • Density 1.42g/cm3
  • Solubility 113mg/L(cold water)
  • Melting Point
  • Formula C12H13 N O4 S2
  • Boiling Point 571.6°C at 760 mmHg
  • Molecular Weight 299.372
  • Flash Point 299.5°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 842-00-2 (4-Ethylsulfonylnaphthanele-1-sulfonamide)
  • Hazard Symbols
  • Synonyms 4-(Ethylsulfonyl)naphthalene-1-sulfonamide
  • PSA 111.06000
  • LogP 4.14270

4-(Ethylsulfonyl)-1-naphthalene sulfonamide Chemical Properties

Molecule structure of 4-(Ethylsulfonyl)-1-naphthalene sulfonamide (CAS NO.842-00-2) :

IUPAC Name: 4-ethylsulfonylnaphthalene-1-sulfonamide 
Molecular Weight: 299.36592 g/mol
Molecular Formula: C12H13NO4S2 
Density: 1.42 g/cm3 
Boiling Point: 571.6 °C at 760 mmHg 
Flash Point: 299.5 °C
Molar Volume: 210.7 cm3
Polarizability: 29.66*10-24 cm3
Surface Tension: 55.7 dyne/cm
Enthalpy of Vaporization: 85.7 kJ/mol 
log P (octanol-water): 1.24
Water Solubility: 96.1 mg/L
Vapor Pressure: 1.54E-09 mm Hg
Henry's Law Constant: 1.27E-11 atm-m3/mole
Atmospheric OH Rate Constant: 8.44E-12 cm3/molecule-sec
XLogP3: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Exact Mass: 299.028599
MonoIsotopic Mass: 299.028599
Topological Polar Surface Area: 94.3
Heavy Atom Count: 19
Complexity: 515
Canonical SMILES: CCS(=O)(=O)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)N
InChI: InChI=1S/C12H13NO4S2/c1-2-18(14,15)11-7-8-12(19(13,16)17)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H2,13,16,17)
InChIKey of 4-(Ethylsulfonyl)-1-naphthalene sulfonamide (CAS NO.842-00-2): BLQOLXMZXQXGOL-UHFFFAOYSA-N

4-(Ethylsulfonyl)-1-naphthalene sulfonamide Toxicity Data With Reference

1.    

dns-mus-orl 20 mg/kg

     BIJOAK    Biochemical Journal. 111 (1969),12P.
2.    

oms-mus-orl 20 mg/kg

     BIJOAK    Biochemical Journal. 111 (1969),12P.
3.    

cyt-mus-orl 40 mg/kg

     CTKIAR    Cell and Tissue Kinetics. 2 (1969),249.
4.    

orl-mus TDLo:4200 mg/kg/50W-C:CAR

     BJCAAI    British Journal of Cancer. 23 (1969),772.
5.    

orl-mus TD:440 mg/kg/52W-C:NEO

     JNCIAM    Journal of the National Cancer Institute. 51 (1973),2007.

4-(Ethylsulfonyl)-1-naphthalene sulfonamide Safety Profile

Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.

4-(Ethylsulfonyl)-1-naphthalene sulfonamide Specification

 4-(Ethylsulfonyl)-1-naphthalene sulfonamide (CAS NO.842-00-2) is also called 4-(Ethylsulfonyl)-1-naphthalenesulfonamide ; 4-11-00-00615 (Beilstein Handbook Reference) ; 4-Ethylsulphonylnaphthalene-1-sulfonamide ; BRN 2153432 ; CCRIS 1566 ; ENS ; 1-Naphthalenesulfonamide, 4-(ethylsulfonyl)- ; 4-Ethylsulfonylnaphthalene-1-sulfonamide .

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