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| Name |
Benzyl bis(2-chloroethyl)aminomethylcarbamate |
EINECS | N/A |
| CAS No. | 58050-46-7 | Density | 1.235g/cm3 |
| PSA | 45.06000 | LogP | 2.85430 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H18Cl2N2O2 | Boiling Point | 378.4°Cat760mmHg |
| Molecular Weight | 305.23 | Flash Point | 182.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intramuscular and intraperitoneal routes. See also CARBAMATES. When heated to decomposition it emits very toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Benzyl bis(2-chloroethyl)aminomethylcarbamate Chemical Properties
Product Name: Benzyl bis(2-chloroethyl)aminomethylcarbamate (CAS NO.58050-46-7)
Molecular Formula: C13H18Cl2N2O2
Molecular Weight: 305.23g/mol
Mol File: 58050-46-7.mol
Boiling point: 378.4 °C at 760 mmHg
Flash Point: 182.6 °C
Density: 1.235 g/cm3
Surface Tension: 44.4 dyne/cm
Enthalpy of Vaporization: 62.63 kJ/mol
Vapour Pressure: 6.32E-06 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Benzyl bis(2-chloroethyl)aminomethylcarbamate (CAS NO.58050-46-7):
IUPAC Name: benzyl N-[bis(2-chloroethyl)aminomethyl]carbamate
Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCN(CCCl)CCCl
InChI: InChI=1S/C13H18Cl2N2O2/c14-6-8-17(9-7-15)11-16-13(18)19-10-12-4-2-1-3-5-
12/h1-5H,6-11H2,(H,16,18)
InChIKey: XLNKEEKJYALKLD-UHFFFAOYSA-N
Benzyl bis(2-chloroethyl)aminomethylcarbamate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 50mg/kg (50mg/kg) | Zeitschrift fuer Krebsforschung und Klinische Onkologie. Vol. 84, Pg. 227, 1975. | |
| rat | LD50 | intramuscular | 40mg/kg (40mg/kg) | Zeitschrift fuer Krebsforschung und Klinische Onkologie. Vol. 84, Pg. 227, 1975. |
Benzyl bis(2-chloroethyl)aminomethylcarbamate Safety Profile
Poison by intramuscular and intraperitoneal routes. See also CARBAMATES. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Benzyl bis(2-chloroethyl)aminomethylcarbamate Specification
Benzyl bis(2-chloroethyl)aminomethylcarbamate ,its CAS NO. is 58050-46-7,the synonyms is N-Bis-(2-chloraethyl)aminomethylbenzylurethan ; Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, benzyl ester .
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