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Basic Information
CAS No.: 42137-88-2
Name: N,N-BIS(2-CHLOROETHYL)-P-TOLUENESULFONAMIDE
Molecular Structure:
Molecular Structure of 42137-88-2 (N,N-BIS(2-CHLOROETHYL)-P-TOLUENESULFONAMIDE)
Formula: C11H15Cl2NO2S
Molecular Weight: 296.218
Synonyms: p-Toluenesulfonamide,N,N-bis(2-chloroethyl)- (6CI,7CI);N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide;N,N-Bis(2-chloroethyl)-4-methylbenzensulfonamide;N,N-Bis(2-chloroethyl)-p-toluenesulfonamide;NSC 49364;
EINECS: 255-677-7
Density: 1.305 g/cm3
Melting Point: 43-50 °C
Boiling Point: 409.104 °C at 760 mmHg
Flash Point: 201.219 °C
Appearance: Grey to grey-brown powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 24/25
PSA: 45.76000
LogP: 3.54410
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Chemistry

Molecular Structure of N,N-Bis(2-chloroethyl)-p-toluenesulphonamide (CAS No.42137-88-2):

Molecular Formula: C11H15Cl2NO2S
Molecular Weight: 296.2133
CAS No: 42137-88-2
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 45.76 Å2
Index of Refraction: 1.549
Molar Refractivity: 72.26 cm3
Molar Volume: 227 cm3
Surface Tension: 44.3 dyne/cm
Density: 1.304 g/cm3
Flash Point: 201.2 °C
Enthalpy of Vaporization: 66.12 kJ/mol
Boiling Point: 409.1 °C at 760 mmHg
Vapour Pressure: 6.66E-07 mmHg at 25°C
IUPAC Name: N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide 
InChI: InChI=1/C11H15Cl2NO2S/c1-10-2-4-11(5-3-10)17(15,16)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3
InChIKey: PTVBBIMKLOMGSY-UHFFFAOYAB
Std. InChI: InChI=1S/C11H15Cl2NO2S/c1-10-2-4-11(5-3-10)17(15,16)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3
Std. InChIKey: PTVBBIMKLOMGSY-UHFFFAOYSA-N
Product Categories: Phenyls Phenyl-Het;Phenyls Phenyl-Het

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.

Specification

   N,N-Bis(2-chloroethyl)-p-toluenesulphonamide (CAS No.42137-88-2), its synonyms are Benzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl- ; N,N-Bis(.beta.-chloroethyl)-p-toluenesulfonamide ; N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide .