-
Name
4-{[bis(2-chloroethyl)amino]methyl}-2,5-dimethyl-1-phenyl-1,2-dihydro-3H-pyrazol-3-one hydrochloride (1:1)
- EINECS
- CAS No. 10070-95-8
- Density g/cm3
- Solubility
- Melting Point
- Formula C16H21 Cl2 N3 O . Cl H
- Boiling Point 388.1°Cat760mmHg
- Molecular Weight 378.729
- Flash Point 188.5°C
- Transport Information
- Appearance
- Safety Poison by intramuscular route. Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of HCl and NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 3H-Pyrazol-3-one,4-[[bis(2-chloroethyl)amino]methyl]-1,2-dihydro-2,5-dimethyl-1-phenyl-,monohydrochloride (9CI); Antipyrine, 4-[[bis(2-chloroethyl)amino]methyl]-,monohydrochloride (8CI); 4-[Bis(2-chloroethyl)aminomethyl]-2-phenazonehydrochloride
- PSA
- LogP
4-(Bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one hydrochloride Chemical Properties
The Molecular Structure of 4-(Bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one hydrochloride (CAS NO.10070-95-8):
Molecular Formula: C16H22Cl3N3O
Molecular Weight: 378.724380 g/mol
IUPAC: 4-[bis(2-chloroethyl)aminomethyl]-2,5-dimethyl-1-phenylpyrazol-3-one hydrochloride
Nominal Mass: 377 Da
Average Mass: 378.7244 Da
Monoisotopic Mass: 377.082845 Da
Flash Point: 188.5 °C
Enthalpy of Vaporization: 63.72 kJ/mol
Boiling Point: 388.1 °C at 760 mmHg
Vapour Pressure: 3.15E-06 mmHg at 25°C
Smiles
n1(n(c(c(c1C)CN(CCCl)CCCl)=O)C)c1ccccc1.Cl
4-(Bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one hydrochloride Toxicity Data With Reference
| 1. | ims-rat LD50:30 mg/kg | ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. 84 (1975),227. | ||
| 2. | ipr-mus LD50:580 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 16 (1966),634. |
4-(Bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one hydrochloride Safety Profile
Poison by intramuscular route. Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of HCl and NOx.
4-(Bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one hydrochloride Specification
4-(Bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one hydrochloride (CAS NO.10070-95-8) is also called as 4-(Bis-(2-chloraethyl)aminomethyl)-1-phenyl-2,3-dimethylpyrazolon hydrochlorid ; 4-(Bis-(2-chloraethyl)aminomethyl)-1-phenyl-2,3-dimethylpyrazolon hydrochlorid [German] ; 3-Pyrazolin-5-one, 4-(bis(2-chloroethyl)aminomethyl)-2,3-
dimethyl-1-phenyl-, hydrochloride .
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