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6-Chloro-2-ethylamino-4-methyl-4-phenyl-4H-3,1-benzoxazine
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Name

6-Chloro-2-ethylamino-4-methyl-4-phenyl-4H-3,1-benzoxazine

 EINECS N/A
CAS No. 21715-46-8 Density 1.2g/cm3
PSA 33.62000 LogP 4.05720
Solubility N/A Melting Point 90-92℃
Formula C17H17 Cl N2 O Boiling Point 421.2°Cat760mmHg
Molecular Weight 300.788 Flash Point 208.5°C
Transport Information N/A Appearance N/A
Safety Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. A tranquilizer. When heated to decomposition it emits very toxic fumes of Cl− and NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 21715-46-8 (Etifoxine) Hazard Symbols N/A
Synonyms

4H-3,1-Benzoxazine,6-chloro-2-(ethylamino)-4-methyl-4-phenyl- (8CI); 2-Ethylamino-6-chloro-4-methyl-4-phenyl-4H-3,1-benzoxazine;Etifoxin; Etifoxine; HOE 36-801

Article Data 2

6-Chloro-2-ethylamino-4-methyl-4-phenyl-4H-3,1-benzoxazine Chemical Properties

IUPAC Name: 6-chloro-N-ethyl-4-methyl-4-phenyl-3,1-benzoxazin-2-amine 
Empirical Formula: C17H17ClN2O
Molecular Weight: 300.7827g/mol
Structure of 6-Chloro-2-ethylamino-4-methyl-4-phenyl-4H-3,1-benzoxazine (CAS NO.21715-46-8):

Index of Refraction: 1.601
Molar Refractivity: 85.5 cm3
Molar Volume: 249.5 cm3
Polarizability: 33.89×10-24cm3
Surface Tension: 41.5 dyne/cm
Density: 1.2 g/cm3
Flash Point: 208.5 °C
Enthalpy of Vaporization: 67.51 kJ/mol
Boiling Point: 421.2 °C at 760 mmHg
Vapour Pressure: 2.66E-07 mmHg at 25°C 
Classification Code: Anti-Anxiety Agents, Central Nervous System Agents, Central Nervous System Depressants, Drug / Therapeutic Agent, Psychotropic Drugs, Tranquilizing Agents 
Canonical SMILES: CCNC1=NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3
InChI: InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)
InChIKey: IBYCYJFUEJQSMK-UHFFFAOYSA-N

6-Chloro-2-ethylamino-4-methyl-4-phenyl-4H-3,1-benzoxazine Toxicity Data With Reference

1.    

orl-rat LD50:1500 mg/kg

     THERAP    Therapie. 27 (1972),325.
2.    

ipr-rat LD50:292 mg/kg

     THERAP    Therapie. 27 (1972),325.
3.    

ivn-rat LD50:55 mg/kg

     THERAP    Therapie. 27 (1972),325.
4.    

orl-mus LD50:1388 mg/kg

     THERAP    Therapie. 27 (1972),325.
5.    

ipr-mus LD50:450 mg/kg

     THERAP    Therapie. 27 (1972),325.
6.    

ivn-mus LD50:120 mg/kg

     THERAP    Therapie. 27 (1972),325.
7.    

ivn-gpg LDLo:133 mg/kg

     THERAP    Therapie. 27 (1972),325.

6-Chloro-2-ethylamino-4-methyl-4-phenyl-4H-3,1-benzoxazine Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. A tranquilizer. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

6-Chloro-2-ethylamino-4-methyl-4-phenyl-4H-3,1-benzoxazine Specification

  6-Chloro-2-ethylamino-4-methyl-4-phenyl-4H-3,1-benzoxazine , its cas register number is 21715-46-8. It also can be called 2-Aethylamino-6-chlor-4-methyl-4-phenyl-4H-3,1-benzoxazin ; BRN 0548223 ; Etifoxin ; Etifoxina ; Etifoxine ;
 Etifoxinum ; HOE 36801 ; UNII-X24X82MX4X .

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