-
Name
6-amino-2-(2-chloroethyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
- EINECS
- CAS No. 3443-15-0
- Density 1.324g/cm3
- Solubility
- Melting Point
- Formula C10H11ClN2O2•ClH
- Boiling Point 552.8°C at 760 mmHg
- Molecular Weight 263.14
- Flash Point 288.1°C
- Transport Information
- Appearance
- Safety Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. An antipyretic and analgesic agent.
- Risk Codes
-
Molecular Structure
- Hazard Symbols 3
- Synonyms
- PSA
- LogP
6-Amino-2-(2-chloroethyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one hydrochloride Chemical Properties
IUPAC Name: [2-(2-chloroethyl)-4-oxo-2,3-dihydro-1,3-benzoxazin-6-yl]azanium chloride
Molecular Formula: C10H12Cl2N2O2
Molecular Weight: 263.1204g/mol
Structure of 6-Amino-2-(2-chloroethyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one hydrochloride (CAS NO.3443-15-0):
.bmp)
Index of Refraction: 1.584
Molar Refractivity: 57.31 cm3
Molar Volume: 171 cm3
Polarizability: 22.71×10-24cm3
Surface Tension: 48.3 dyne/cm
Density: 1.324 g/cm3
Flash Point: 288.1 °C
Enthalpy of Vaporization: 83.35 kJ/mol
Boiling Point: 552.8 °C at 760 mmHg
Vapour Pressure: 2.89E-12 mmHg at 25°C
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: C1=CC2=C(C=C1[NH3+])C(=O)NC(O2)CCCl.[Cl-]
InChI: InChI=1S/C10H11ClN2O2.ClH/c11-4-3-9-13-10(14)7-5-6(12)1-2-8(7)15-9;/h1-2,5,9H,3-4,12H2,(H,13,14);1H
InChIKey: ZEOBTWIUYHOVNR-UHFFFAOYSA-N
6-Amino-2-(2-chloroethyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one hydrochloride Toxicity Data With Reference
| 1. | orl-rat LD50:619 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 14 (1964),124. | ||
| 2. | ipr-rat LD50:607 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 13 (1963),884. | ||
| 3. | orl-mus LD50:2250 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 13 (1963),884. | ||
| 4. | ivn-mus LD50:293 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 13 (1963),884. |
6-Amino-2-(2-chloroethyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one hydrochloride Safety Profile
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. An antipyretic and analgesic agent.
6-Amino-2-(2-chloroethyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one hydrochloride Specification
6-Amino-2-(2-chloroethyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one hydrochloride , its cas register number is 3443-15-0. It also can be called 2-(beta-Chloroethyl)-2,3-dihydro-4-oxo-6-amino-1,3-benzoxazine hydrochloride ; A 350 ;
Aminochlorthenoxazin hydrochloride ; ICI 350 .
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