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Benzenesulfonylfluoride, 3-amino-4-methoxy-

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  • Name Benzenesulfonylfluoride, 3-amino-4-methoxy-
  • EINECS207-870-2
  • CAS No. 498-74-8
  • Density1.401 g/cm3
  • PSA77.77000
  • LogP2.59760
  • SolubilityN/A
  • Melting Point60-65 °C
  • FormulaC7H8FNO3S
  • Boiling Point324.4 °C at 760 mmHg
  • Molecular Weight205.21
  • Flash Point150 °C
  • Transport InformationN/A
  • Appearancebeige to brown crystalline solid
  • Safety24/25
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 498-74-8 (4-METHOXYMETANILYL FLUORIDE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi

Benzenesulfonylfluoride, 3-amino-4-methoxy- Specification

The CAS registry number of Benzenesulfonylfluoride, 3-amino-4-methoxy- is 498-74-8. This chemical is also named as 4-Methoxymetanilyl fluoride. Its EINECS registry number of is 207-870-2. In addition, its molecular formula is C7H8FNO3S and molecular weight is 205.21. Its systematic name and IUPAC name are the same which is called 3-amino-4-methoxybenzenesulfonyl fluoride.

Physical properties about this chemical are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.01; (6)ACD/BCF (pH 7.4): 6.01; (7)ACD/KOC (pH 5.5): 125.58; (8)ACD/KOC (pH 7.4): 125.62; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 45.66 cm3; (14)Molar Volume: 146.4 cm3; (15)Surface Tension: 44.8 dyne/cm; (16) Density: 1.401 g/cm3; (17)Flash Point: 150 °C; (18)Enthalpy of Vaporization: 56.64 kJ/mol; (19)Boiling Point: 324.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000247 mmHg at 25°C.

Uses of Benzenesulfonylfluoride, 3-amino-4-methoxy-: it can be used to produce 2-amino-4-methoxy-benzenesulfonic acid 3,4,5-trimethoxy-phenyl ester. It will need reagent Et3N and solvent CH2Cl2. The yield is about 53 %.

Benzenesulfonylfluoride, 3-amino-4-methoxy- can be used to produce 2-amino-4-methoxy-benzenesulfonic acid 3,4,5-trimethoxy-phenyl ester

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: FS(=O)(=O)c1ccc(OC)c(N)c1
(2)InChI: InChI=1/C7H8FNO3S/c1-12-7-3-2-5(4-6(7)9)13(8,10)11/h2-4H,9H2,1H3
(3)InChIKey: SESLQGPHIQXYGF-UHFFFAOYAM

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