-
Name
4'-[Bis(2-chloroethyl)amino]-2-fluoroacetanilide
- EINECS
- CAS No. 1492-93-9
- Density 1.322g/cm3
- Solubility
- Melting Point 123-124 °C
- Formula C12H15 Cl2 F N2 O
- Boiling Point 477.9°C at 760 mmHg
- Molecular Weight 293.19
- Flash Point 242.8°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits very toxic fumes of Cl−, F−, and NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Acetanilide,4'-[bis(2-chloroethyl)amino]-2-fluoro- (6CI,7CI,8CI); NSC 240362
- PSA 32.34000
- LogP 2.95160
4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide Chemical Properties
Empirical Formula of 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide (CAS NO.1492-93-9): C12H15Cl2FN2O
Molecular Weight: 293.1647
Index of Refraction: 1.581
Density: 1.322 g/cm3
Flash Point: 242.8 °C
Enthalpy of Vaporization: 74.19 kJ/mol
Boiling Point: 477.9 °C at 760 mmHg
Vapour Pressure: 2.69E-09 mmHg at 25 °C
Structure of 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide (CAS NO.1492-93-9):
IUPAC Name: N-[4-[Bis(2-chloroethyl)amino]phenyl]-2-fluoroacetamide
Canonical SMILES: C1=CC(=CC=C1NC(=O)CF)N(CCCl)CCCl
InChI: InChI=1S/C12H15Cl2FN2O/c13-5-7-17(8-6-14)11-3-1-10(2-4-11)16-12(18)9-15/h1-4H,5-9H2,(H,16,18)
InChIKey: HTONHMWVXDSAHU-UHFFFAOYSA-N
4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide Toxicity Data With Reference
| 1. | ipr-rat LD50:7916 µg/kg | JMCMAR Journal of Medicinal Chemistry. 8 (1965),167. | ||
| 2. | ipr-mus LD50:34 mg/kg | JMCMAR Journal of Medicinal Chemistry. 8 (1965),167. |
4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide Safety Profile
Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide (CAS NO.1492-93-9) emits very toxic fumes of Cl−, F−, and NOx.
4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide Specification
4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide , its cas register number is 1492-93-9. It also can be called N-(p-(alpha-Fluoroacetylamino)phenyl)-2,2'-dichlorodiethylamine ; p-Fluoroacetylaminophenyl derivative of nitrogen mustard ; Fluoroacetyl-N-(p-aminophenyl)-nitrogen mustard ; and 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanilide .
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