6-Amino-2H-1,4-benzoxazin-3(4H)-one

• CAS: 89976-75-0
• Catalog Number: ACM89976750
• Category: Ethers
• Molecular Weight: 164.16
• Molecular Formula: C₈H₈F₃NO
• Hazard Statements: H302-H317-H319-H412
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 6-Amino-2H-1,4-benzoxazin-3(4H)-one?

The molecular formula of 6-Amino-2H-1,4-benzoxazin-3(4H)-one is C8H8N2O2.

What is the molecular weight of 6-Amino-2H-1,4-benzoxazin-3(4H)-one?

The molecular weight of 6-Amino-2H-1,4-benzoxazin-3(4H)-one is 164.16 g/mol.

What is the IUPAC name of 6-Amino-2H-1,4-benzoxazin-3(4H)-one?

The IUPAC name of 6-Amino-2H-1,4-benzoxazin-3(4H)-one is 6-amino-4H-1,4-benzoxazin-3-one.

What is the InChI of 6-Amino-2H-1,4-benzoxazin-3(4H)-one?

The InChI of 6-Amino-2H-1,4-benzoxazin-3(4H)-one is InChI=1S/C8H8N2O2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4,9H2,(H,10,11).

What is the InChIKey of 6-Amino-2H-1,4-benzoxazin-3(4H)-one?

The InChIKey of 6-Amino-2H-1,4-benzoxazin-3(4H)-one is GEPGYMHEMLZMBC-UHFFFAOYSA-N.

What is the canonical SMILES of 6-Amino-2H-1,4-benzoxazin-3(4H)-one?

The canonical SMILES of 6-Amino-2H-1,4-benzoxazin-3(4H)-one is C1C(=O)NC2=C(O1)C=CC(=C2)N.

What is the CAS number of 6-Amino-2H-1,4-benzoxazin-3(4H)-one?

The CAS number of 6-Amino-2H-1,4-benzoxazin-3(4H)-one is 89976-75-0.

What is the European Community (EC) number of 6-Amino-2H-1,4-benzoxazin-3(4H)-one?

The European Community (EC) number of 6-Amino-2H-1,4-benzoxazin-3(4H)-one is 804-481-5.

Is 6-Amino-2H-1,4-benzoxazin-3(4H)-one a canonicalized compound?

Yes, 6-Amino-2H-1,4-benzoxazin-3(4H)-one is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 81721-87-1

• 89976-75-0

Reference: [1] ChemCatChem, 2014, vol. 6, # 11, p. 3153 - 3159

Upstream Synthesis Route 2

• 598-42-5
• 95-76-1

• 89976-75-0

Reference: [1] Patent: CN107652249, 2018, A, . Location in patent: Paragraph 0025-0027; 0037-0046

Upstream Synthesis Route 3

• 85196-33-4

• 89976-75-0

Reference: [1] Patent: JP2018/135315, 2018, A, . Location in patent: Paragraph 0017; 0019

Upstream Synthesis Route 4

• 90814-92-9

• 89976-75-0

Reference: [1]Gazzetta Chimica Italiana,1957,vol. 87,p. 659,670

Downstream Synthesis Route 1

• 89976-75-0
• 98-88-4

• 90814-94-1

Reference: [1]Bollettino Scientifico della Facolta di Chimica Industriale di Bologna,1957,vol. 15,p. 37

* For details of the synthesis route, please refer to the original source to ensure accuracy.