"6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride" is a complex organic chemical compound with the molecular formula C9H6ClNO4S. It is a derivative of 1,4-benzoxazine, featuring a chloro substituent at the 6-position, a carbonyl group at the 3-position, and a sulfonyl chloride group at the 7-position. 6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride is characterized by its heterocyclic structure, which includes both benzene and oxazine rings. It is a potentially reactive intermediate due to the presence of the sulfonyl chloride group, which can participate in various chemical reactions, such as nucleophilic substitutions. The compound may be used in the synthesis of pharmaceuticals, agrochemicals, or other specialty chemicals where its specific structural features are advantageous. Due to its complexity, it is typically handled by professionals in a controlled laboratory setting.
5791-09-3
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Basic information
- Product Name: 6-CHLORO-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONYL CHLORIDE
- Synonyms: BUTTPARK 120\07-42;6-CHLORO-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONYL CHLORIDE;6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonyl chloride
- CAS NO:5791-09-3
- Molecular Formula: C8H5Cl2NO4S
- Molecular Weight: 282.1
- EINECS: N/A
- Product Categories: N/A
- Mol File: 5791-09-3.mol
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Chemical Properties
- Melting Point: 258 °C (decomp)
- Boiling Point: 483.8±45.0 °C(Predicted)
- Flash Point: N/A
- Appearance: /
- Density: 1.674±0.06 g/cm3(Predicted)
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 10.22±0.20(Predicted)
- CAS DataBase Reference: 6-CHLORO-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONYL CHLORIDE(CAS DataBase Reference)
- NIST Chemistry Reference: 6-CHLORO-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONYL CHLORIDE(5791-09-3)
- EPA Substance Registry System: 6-CHLORO-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONYL CHLORIDE(5791-09-3)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 5791-09-3(Hazardous Substances Data)
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5791-09-3 Usage
Chemical compound
6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chlorideProperties
Consists of a benzoxazine ringContains a chloro and sulfonyl chloride group
Used in the synthesis of pharmaceuticals and agrochemicals
Versatile building block in organic chemistry
Unique features
Sulfonyl chloride functionality for introducing sulfonyl groupsBenzoxazine ring for imparting desirable biological activity in drug design
Applications
Valuable reagent in organic synthesisPotential use in medicinal chemistry and chemical biology
Interest to researchers in
Organic synthesisMedicinal chemistry
Chemical biology
Check Digit Verification of cas no
The CAS Registry Mumber 5791-09-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,7,9 and 1 respectively; the second part has 2 digits, 0 and 9 respectively.Calculate Digit Verification of CAS Registry Number 5791-09:
(6*5)+(5*7)+(4*9)+(3*1)+(2*0)+(1*9)=113
113 % 10 = 3
So 5791-09-3 is a valid CAS Registry Number.
5791-09-3Upstream product
5791-09-3Downstream Products
- 1450923-86-0 6-chloro-N-(4-methoxybenzyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide
- 1450922-54-9 6-chloro-4-(2-cyano-4-(trifluoromethyl)phenyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide
- 1450923-87-1 6-chloro-4-(2-cyano-4-(trifluoromethyl)phenyl)-N-(4-methoxybenzyl)-N-(thiazol-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide
- 891892-67-4 6-chloro-N-(3,4-dimethylphenyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide
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6-CHLORO-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONYL CHLORIDE
