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2037-95-8

2037-95-8 Structure

2037-95-8 Structure
IdentificationBack Directory
[Name]

2 H-1,3-BENZOXAZINE-2,4(3 H)-DIONE
[CAS]

2037-95-8
[Synonyms]

ruhmal
beaprine
carsalam
Carsalame
Two ketone
4(3 H)-DIONE
CAS:2037-95-8
3-BENZOXAZINE-2
oxophenhydroxazine
TIMTEC-BB SBB003929
Carsalam≥ 99% (HPLC)
Carbonylsalicylamide
1,3-BENZOXAZINE-2,4-DIONE
1,3-benzoxazine-2,4-quinone
1,3-Benzoxazine-2,4-(3H)-dione
2 H-1,3-BENZOXAZINE-2,4(3 H)-DIONE
2H-1,3-Benzoxazine-2,4(3H)-dione 98%
2H-Benzo[e][1,3]oxazine-2,4(3H)-dione
2,4-Dioxo-3,4-dihydro-2H-1,3-benzoxazine
3,4-dihydro-2H-1,3-benzoxazine-2,4-dione
CarsalaM (1,3-benzoxazine-2,4-(3H)-dione)
2 H-1,3-BENZOXAZINE-2,4(3 H)-DIONE ISO 9001:2015 REACH
[EINECS(EC#)]

606-541-4
[Molecular Formula]

C8H5NO3
[MDL Number]

MFCD00600566
[MOL File]

2037-95-8.mol
[Molecular Weight]

163.13
Chemical PropertiesBack Directory
[Melting point ]

228-232 °C(lit.)
[density ]

1.402±0.06 g/cm3(Predicted)
[vapor pressure ]

0.73-1.27Pa at 89.94-107.94℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO : ≥ 40 mg/mL (245.20 mM)
[form ]

Solid
[pka]

9.16±0.20(Predicted)
[color ]

White to off-white
[Merck ]

13,1879
[InChI]

InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
[InChIKey]

OAYRYNVEFFWSHK-UHFFFAOYSA-N
[SMILES]

O1C2=CC=CC=C2C(=O)NC1=O
[LogP]

0.78-0.88 at 20℃
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

36
[WGK Germany ]

3
[RTECS ]

DM3110000
[REACH Registrations]

Active
[HS Code ]

2934999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Off-white to light brown crystalline powder
[Uses]

analgesic
[Definition]

ChEBI: Carsalam is a benzoxazine.
[General Description]

Kinetic studies of the alkaline hydrolysis of 2H-1,3-benzoxazine-2,4(3H)-dione (carsalam) were conducted and reaction was found to be of fractional order with respect to [OH-].
[Synthesis]

2H-1,3-Benzoxazine-2,4(3H)-dione was prepared according to the procedure of Hoback, Crum and Carroll. To a solution of 411 g. (3. 0 moles) salicylamide in 483 ml. (6.0 moles) of anhydrous pyridine at 0℃ was added slowly with stirring 572 ml. (6.0 moles) of ethyl chlorocarbonate. The resulting orange solution was refluxed for 5 hr. and poured into 2L of ice water. The filtered product was washed twice with 0.5L of water and recrystallized three times from acetone-ethanol (50: 50), giving white needles 2H-1,3-Benzoxazine-2,4(3H)-dione (83% yield), m.p. 227.5-228.5° (lit. 12), m.p. 227-228°, which gave no coloration with ethanolic ferric chloride[1].
[References]

[1] J. D. Crum, J. A. Franks Jr. “The chemistry of heterocycles. III. 2H-1,3-benzoxazine-2,4(3H)-dione and Some 3-substituted derivatives.??.” Journal of Heterocyclic Chemistry 2 1 (1965): 37–40.
Spectrum DetailBack Directory
[Spectrum Detail]

2 H-1,3-BENZOXAZINE-2,4(3 H)-DIONE(2037-95-8)1HNMR
2 H-1,3-BENZOXAZINE-2,4(3 H)-DIONE(2037-95-8)IR1
2 H-1,3-BENZOXAZINE-2,4(3 H)-DIONE(2037-95-8)IR2
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