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Carsalam

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Name

Carsalam

EINECS N/A
CAS No. 2037-95-8 Density 1.402g/cm3
PSA 63.07000 LogP 0.48130
Solubility N/A Melting Point 228-232 °C(lit.)
Formula C8H5NO3 Boiling Point N/A
Molecular Weight 163.133 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 36 Risk Codes 22
Molecular Structure Molecular Structure of 2037-95-8 (2 H-1,3-BENZOXAZINE-2,4(3 H)-DIONE) Hazard Symbols HarmfulXn
Synonyms

1,3-Benzoxazine-2,4-dione;2,4-Dioxo-3,4-dihydro-2H-1,3-benzoxazine;3,4-Dihydro-1,3-benzoxazine-2,4-dione;3,4-Dihydro-1,3-benzoxazine-3,4-dione;4H-1,3-Benzoxazine-2,4(3H)-dione;Beaprine;Carbonylsalicylamide;Carsalam;NSC 36166;Oxophenhydroxazine;Ruhmal;

Article Data 5

Carsalam Specification

The CAS register number of 2H-1,3-Benzoxazine-2,4(3H)-dione is 2037-95-8. It also can be called as 2,4-Dioxo-3,4-dihydro-2H-1,3-benzoxazine and the IUPAC name about this chemical is 1,3-benzoxazine-2,4-dione. The molecular formula about this chemical is C8H5NO3 and the molecular weight is 163.13. It belongs to the following product categories which include Benzoxazines; Building Blocks; Heterocyclic Building Blocks and so on.

Physical properties about 2H-1,3-Benzoxazine-2,4(3H)-dione are: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): 0.9; (3)ACD/LogD (pH 7.4): 0.9; (4)ACD/BCF (pH 5.5): 2.87; (5)ACD/BCF (pH 7.4): 2.82; (6)ACD/KOC (pH 5.5): 73.97; (7)ACD/KOC (pH 7.4): 72.74; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 39.02 cm3; (13)Molar Volume: 116.3 cm3; (14)Polarizability: 15.47x10-24cm3; (15)Surface Tension: 51.3 dyne/cm; (16)Density: 1.402 g/cm3.

Preparation: this chemical can be prepared by 4-(4-chloro-phenylamino)-benzo[e][1,3]oxazin-2-one. This reaction will need reagent of conc. HCl and solvent of ethanol. The reaction time is 1.5 hours with reflux. The yield is about 44%.

2H-1,3-Benzoxazine-2,4(3H)-dione can be prepared by 4-(4-chloro-phenylamino)-benzo[e][1,3]oxazin-2-one.

Uses of 2H-1,3-Benzoxazine-2,4(3H)-dione: it can be used to produce 2-dimethylamino-3,3-dimethyl-10a-(2-propenyl)-3,10a-dihydro-imidazo[2,1-b]-1,3-benzoxazin-5-one and 4-dimethylamino-5,5-dimethyl-1,5-dihydro-imidazol-2-one with (3,3-dimethyl-3H-azirin-2-yl)-dimethyl-amine. This reaction will need solvent of acetonitrile. This reaction needs heating. The reaction time is 75 hours. The yield is about 74%.

2H-1,3-Benzoxazine-2,4(3H)-dione can be used to produce 2-dimethylamino-3,3-dimethyl-10a-(2-propenyl)-3,10a-dihydro-imidazo[2,1-b]-1,3-benzoxazin-5-one and 4-dimethylamino-5,5-dimethyl-1,5-dihydro-imidazol-2-one with (3,3-dimethyl-3H-azirin-2-yl)-dimethyl-amine.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it may cause damage to health. If you want to use it, wear suitable protective clothing. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2c(OC(=O)N1)cccc2
(2)InChI: InChI=1/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
(3)InChIKey: OAYRYNVEFFWSHK-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
(5)Std. InChIKey: OAYRYNVEFFWSHK-UHFFFAOYSA-N

The toxicity data are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 15(Suppl), Pg. 97T, 1963.
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 100, 1968.
rat LD50 oral 750mg/kg (750mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 15(Suppl), Pg. 97T, 1963.

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