-
Name
N-{4-[bis(2-chloroethyl)amino]phenyl}acetamide
- EINECS
- CAS No. 1215-16-3
- Density 1.272g/cm3
- Solubility
- Melting Point
- Formula C12H16 Cl2 N2 O
- Boiling Point 469.5°Cat760mmHg
- Molecular Weight 275.178
- Flash Point 237.8°C
- Transport Information
- Appearance
- Safety Poison via intraperitoneal route. An experimental teratogen. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Acetanilide,4'-[bis(2-chloroethyl)amino]- (6CI,7CI,8CI); Lonin 3
- PSA
- LogP
4'-(Bis(2-chloroethyl)amino)acetanilide Chemical Properties
Empirical Formula of 4'-(Bis(2-chloroethyl)amino)acetanilide (CAS NO.1215-16-3): C12H16Cl2N2O
Molecular Weight: 275.1742
Index of Refraction: 1.598
Density: 1.272 g/cm3
Flash Point: 237.8 °C
Enthalpy of Vaporization: 73.19 kJ/mol
Boiling Point: 469.5 °C at 760 mmHg
Vapour Pressure: 5.47E-09 mmHg at 25 °C
Structure of 4'-(Bis(2-chloroethyl)amino)acetanilide (CAS NO.1215-16-3):
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IUPAC Name: N-[4-[Bis(2-chloroethyl)amino]phenyl]acetamide
Canonical SMILES: CC(=O)NC1=CC=C(C=C1)N(CCCl)CCCl
InChI: InChI=1S/C12H16Cl2N2O/c1-10(17)15-11-2-4-12(5-3-11)16(8-6-13)9-7-14/h2-5H,6-9H2,1H3,(H,15,17)
InChIKey: KKJPUHZODXVLPP-UHFFFAOYSA-N
4'-(Bis(2-chloroethyl)amino)acetanilide Toxicity Data With Reference
| 1. | mmo-sat 1 µmol/plate | MUREAV Mutation Research. 224 (1989),95. | ||
| 2. | mmo-smc 808 µmol/L | MUREAV Mutation Research. 224 (1989),95. | ||
| 3. | ipr-rat LD50:28 mg/kg | JMCMAR Journal of Medicinal Chemistry. 8 (1965),167. | ||
| 4. | ipr-mus LD50:27 mg/kg | JMCMAR Journal of Medicinal Chemistry. 8 (1965),167. |
4'-(Bis(2-chloroethyl)amino)acetanilide Safety Profile
Poison via intraperitoneal route. An experimental teratogen. Mutation data reported. When heated to decomposition 4'-(Bis(2-chloroethyl)amino)acetanilide (CAS NO.1215-16-3) emits very toxic fumes of Cl− and NOx.
4'-(Bis(2-chloroethyl)amino)acetanilide Specification
4'-(Bis(2-chloroethyl)amino)acetanilide , its cas register number is 1215-16-3. It also can be called N-(4-(Bis(2-chloroethyl)amino)phenyl)acetamide ; N-(p-Acetyl-amino-phenyl)-2,2'-dichlorodiethylamine ; p-Acetylaminophenyl derivative of nitrogen mustard ; and Acetyl-N-(p-aminophenyl)-nitrogen mustard .
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