-
Name
N-[Bis(2-chloroethyl)aminomethyl]carbamic acid benzyl ester
- EINECS
- CAS No. 58050-46-7
- Density 1.235g/cm3
- Solubility
- Melting Point
- Formula C13H18Cl2N2O2
- Boiling Point 378.4°Cat760mmHg
- Molecular Weight 305.23
- Flash Point 182.6°C
- Transport Information
- Appearance
- 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
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA 45.06000
- LogP 2.85430
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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