7-(2-CHLOROETHYL)THEOPHYLLINE

• CAS: 5878-61-5
• Catalog Number: ACM5878615
• Category: Other Products
• Molecular Weight: 242.66
• Molecular Formula: C9H11ClN4O2
• Synonyms: Benaphyllin
• IUPAC Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
• InChI: InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
• InChI Key: QCIARNIKNKKHFH-UHFFFAOYSA-N
• Boiling Point: 459.8ºC at 760 mmHg
• Melting Point: 122-127 °C
• Flash Point: 231.9ºC
• Density: 1.51g/cm³
• Appearance: White solid
• Complexity: 325
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 227-553-2
• Exact Mass: 242.0570533
• Hazard Statements: Xn
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 242.0570533
• Physical Description: 7-(2-Chloroethyl)theophylline 97% (5g)
• Physical State: Crystalline powder
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 58.4 Ų

Custom Q&A

What is the chemical formula of 7-(2-CHLOROETHYL)THEOPHYLLINE?

The chemical formula of 7-(2-CHLOROETHYL)THEOPHYLLINE is C9H11ClN4O2.

What is the molecular weight of 7-(2-CHLOROETHYL)THEOPHYLLINE?

The molecular weight of 7-(2-CHLOROETHYL)THEOPHYLLINE is 242.66.

What is the melting point of 7-(2-CHLOROETHYL)THEOPHYLLINE?

The melting point of 7-(2-CHLOROETHYL)THEOPHYLLINE is 122-127 °C.

What is the boiling point of 7-(2-CHLOROETHYL)THEOPHYLLINE?

The predicted boiling point of 7-(2-CHLOROETHYL)THEOPHYLLINE is 459.8±51.0 °C.

In what form does 7-(2-CHLOROETHYL)THEOPHYLLINE exist?

7-(2-CHLOROETHYL)THEOPHYLLINE exists in the form of a Crystalline Powder.

What is the color of 7-(2-CHLOROETHYL)THEOPHYLLINE?

The color of 7-(2-CHLOROETHYL)THEOPHYLLINE is White.

What is the solubility of 7-(2-CHLOROETHYL)THEOPHYLLINE?

7-(2-CHLOROETHYL)THEOPHYLLINE is soluble in DMSO and moderately soluble in ethanol.

What is the hazard code associated with 7-(2-CHLOROETHYL)THEOPHYLLINE?

The hazard code associated with 7-(2-CHLOROETHYL)THEOPHYLLINE is Xn.

What is the primary use of 7-(2-CHLOROETHYL)THEOPHYLLINE?

7-(2-CHLOROETHYL)THEOPHYLLINE is an adenosine receptor antagonist.

What is the definition of 7-(2-CHLOROETHYL)THEOPHYLLINE according to ChEBI?

According to ChEBI, 7-(2-CHLOROETHYL)THEOPHYLLINE is an oxopurine.