4,5-Dihydro-3,4,4-trimethyloxazolium iodide supplier

Name
4,5-Dihydro-3,4,4-trimethyloxazolium iodide
EINECS 250-044-1
CAS No. 30093-97-1
Article Data13
CAS DataBase
Density
Solubility
Melting Point
Formula C₆H₁₂INO
Boiling Point
Molecular Weight 241.072
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4,4-Trimethyl-4,5-dihydro-1,3-oxazol-3-ium iodide;
PSA 20.31000
LogP -2.01970

4,5-Dihydro-3,4,4-trimethyloxazolium iodide Specification

The 4,5-Dihydro-3,4,4-trimethyloxazolium iodide, with the CAS registry number 30093-97-1, is also known as 3,4,4-Trimethyl-4,5-dihydro-1,3-oxazol-3-ium iodide. Its EINECS registry number is 250-044-1. This chemical's molecular formula is C₆H₁₂INO and molecular weight is 241.07005. What's more, its IUPAC name is 3,4,4-Trimethyl-5H-1,3-oxazol-3-ium iodide.

Physical properties about 4,5-Dihydro-3,4,4-trimethyloxazolium iodide: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 12.24 Å²; (5)Exact Mass 240.996357; (6)MonoIsotopic Mass 240.996357; (7)Topological Polar Surface Area 12.2; (8)Heavy Atom Count: 9; (9)Formal Charge: 0; (10)Complexity: 127; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.

Uses of 4,5-Dihydro-3,4,4-trimethyloxazolium iodide: it is used to produce other chemicals. For example, it can react with 2-Amino-benzamide to get 3H-Quinazolin-4-one. The reaction occurs with reagent dimethylformamide heating for 12 hours. The yield is 60%.

4,5-Dihydro-3,4,4-trimethyloxazolium iodide can react with 2-Amino-benzamide to get 3H-Quinazolin-4-one

You can still convert the following datas into molecular structure:
(1) SMILES: [I-].O1\C=[N+](\C)C(C)(C)C1
(2) InChI: InChI=1/C6H12NO.HI/c1-6(2)4-8-5-7(6)3;/h5H,4H2,1-3H3;1H/q+1;/p-1
(3) InChIKey: MSVZNJGVRJXGOY-REWHXWOFAH

Product Name

4,5-Dihydro-3,4,4-trimethyloxazolium iodide

4,5-Dihydro-3,4,4-trimethyloxazolium iodide Specification

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