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29053-27-8

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Basic Information
CAS No.: 29053-27-8
Name: Meseclazone
Article Data: 2
Molecular Structure:
Molecular Structure of 29053-27-8 (Meseclazone)
Formula: C11H10 Cl N O3
Molecular Weight: 239.658
Synonyms: 7-Chloro-3,3a-dihydro-2-methyl-2H,9H-isoxazolo-(3,2-b)(1,3)-benzoxazin-9-one;Meseclazone; NSC 297623; W 2395
Density: 1.47g/cm3
Melting Point: 148°C
Boiling Point: 435.6°Cat760mmHg
Flash Point: 217.3°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
PSA: 38.77000
LogP: 2.16240
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Chemistry

The Molecular Structure of 7-Chloro-2-methyl-3,3a-dihydro-2H,9H-isoxazolo(3,2-b)(1,3)benzoxazin-9-one (CAS NO.29053-27-8):

Molecular Formula: C11H10ClNO3
Molecular Weight: 239.655000 g/mol
Index of Refraction: 1.632
Molar Refractivity: 58.07 cm3
Molar Volume: 162.7 cm3
Surface Tension: 57.6 dyne/cm
Density: 1.47 g/cm3
Flash Point: 217.3 °C
Enthalpy of Vaporization: 69.2 kJ/mol
Boiling Point: 435.6 °C at 760 mmHg
Vapour Pressure: 8.62E-08 mmHg at 25°C
InChI
InChI=1/C11H10ClNO3/c1-6-4-10-13(16-6)11(14)8-5-7(12)2-3-9(8)15-10/h2-3,5-6,10H,4H2,1H3
Smiles
N12[C@@H](Oc3ccc(cc3C1=O)Cl)C[C@@H](C)O2 
The IUPAC of 7-Chloro-2-methyl-3,3a-dihydro-2H,9H-isoxazolo(3,2-b)(1,3)benzoxazin-9-one (CAS NO.29053-27-8) is 7-chloro-2-methyl-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one .

Toxicity Data With Reference

1.    

orl-rat LD50:1160 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 33 (1975),147.
2.    

orl-mus LD50:2250 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 33 (1975),147.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and Cl−.

Specification

 7-Chloro-2-methyl-3,3a-dihydro-2H,9H-isoxazolo(3,2-b)(1,3)benzoxazin-9-one (CAS NO.29053-27-8) is also called as Meseclazone ; Meseclazone [USAN:INN] ; 2H,9H-Isoxazolo(3,2-b)(1,3)benzoxacin-9-one, 7-chloro-3,3a-dihydro-2-methyl- ; 7-Chloro-3,3a-dihydro-2-methyl-2H,9H-isoxazolo(3,2-b)(1,3)benzoxazin-9-one ; Meseclazona ; Meseclazona[INNSpanish] ; Meseclazone ; Meseclazonum ; Meseclazonum [INN-Latin] ; NSC 297623 ; UNII-51KFT71THG ; W 2395 ; 2H,9H-Isoxazolo(3,2-b)(1,3)benzoxacin-9-one, 7-chloro-3,3a-dihydro-2-methyl- ; 2H,9H-Isoxazolo(3,2-b)(1,3)benzoxazin-9-one, 3,3a-dihydro-7-chloro-2-methyl- .