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6214-20-6

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Basic Information
CAS No.: 6214-20-6
Name: METHYL 4-NITROBENZENESULFONATE
Article Data: 15
Molecular Structure:
Molecular Structure of 6214-20-6 (METHYL 4-NITROBENZENESULFONATE)
Formula: C7H7 N O5 S
Molecular Weight: 217.202
Synonyms: Benzenesulfonicacid, p-nitro-, methyl ester (6CI,7CI,8CI); Methyl 4-nitrobenzenesulfonate;Methyl nosylate; Methyl p-nitrobenzenesulfonate; Methyl p-nitrotosylate
EINECS: 228-282-2
Density: 1.453g/cm3
Melting Point: 89-92 °C(lit.)
Boiling Point: 364.2°C at 760 mmHg
Flash Point: 174°C
Hazard Symbols: Xi
Risk Codes: R38
Safety: 2277327
PSA: 97.57000
LogP: 2.53390
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Chemistry

Molecular structure of Methyl 4-nitrobenzenesulfonate (CAS NO.6214-20-6) is:

Product Name: Methyl 4-nitrobenzenesulfonate
CAS Registry Number: 6214-20-6
IUPAC Name: Methyl 4-nitrobenzenesulfonate
Molecular Weight: 217.19918 [g/mol]  
Molecular Formula: C7H7NO5S  
XLogP3: 1.4  
H-Bond Donor: 0  
H-Bond Acceptor: 5
EINECS: 228-282-2
Melting Point: 89-92 °C(lit.)
Solubility: acetone: 50 mg/mL, clear, slightly yellow
Index of Refraction: 1.555 
Molar Refractivity: 47.97 cm3 
Molar Volume: 149.4 cm3
Surface Tension: 51.7 dyne/cm 
Density: 1.453 g/cm3 
Flash Point: 174 °C 
Enthalpy of Vaporization: 58.63 kJ/mol 
Boiling Point: 364.2 °C at 760 mmHg 
Vapour Pressure: 3.6E-05 mmHg at 25 °C
Product Categories: Organic Building Blocks;Sulfonates/Sulfinates;Sulfur Compounds
Canonical SMILES: COS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C7H7NO5S/c1-13-14(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 
InChIKey: RMNJNEUWTBBZPT-UHFFFAOYSA-N

Safety Profile

Safty information about Methyl 4-nitrobenzenesulfonate (CAS NO.6214-20-6) is:
Hazard Codes: IrritantXi
Risk Statements: 38 
R38:Irritating to skin.
Safety Statements: 37 
S37:Wear suitable gloves.
WGK Germany: 3
F: 10-21

Specification

 Methyl 4-nitrobenzenesulfonate , its cas register number is 6214-20-6. It also can be called Methyl p-nitrobenzenesulfonate ; Benzenesulfonic acid, 4-nitro-, methyl ester .It is a pale yellow-beige powder.