Product Name

  • Name

    N-(Benzyloxycarbonyl)glycine 1,2-dibromoethyl ester

  • EINECS
  • CAS No. 64187-25-3
  • Density 1.711g/cm3
  • Solubility
  • Melting Point 57°C
  • Formula C12H13 Br2 N O4
  • Boiling Point 491.3°C at 760 mmHg
  • Molecular Weight 395.048
  • Flash Point 250.9°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal and intravaginal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Br− and NOx. See also ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 64187-25-3 (N-(Benzyloxycarbonyl)glycine 1,2-dibromoethyl ester)
  • Hazard Symbols
  • Synonyms N-Carbobenzoxyglycine1,2-dibromoethyl ester
  • PSA 68.12000
  • LogP 2.77630

N-CARBOBENZOXYGLYCINE-1,2-DIBROMO ETHYL ESTER Chemical Properties

IUPAC Name: 1,2-dibromoethyl 2-(phenylmethoxycarbonylamino)acetate 
Empirical Formula: C12H13Br2NO4
Molecular Weight: 395.0439g/mol
Index of Refraction: 1.58
Molar Refractivity: 76.9 cm3
Molar Volume: 230.7 cm3
Polarizability: 30.48×10-24cm3
Surface Tension: 52.7 dyne/cm
Density: 1.711 g/cm3
Flash Point: 250.9 °C
Enthalpy of Vaporization: 75.79 kJ/mol
Boiling Point: 491.3 °C at 760 mmHg
Vapour Pressure: 8.52E-10 mmHg at 25°C
Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCC(=O)OC(CBr)Br
InChI: InChI=1S/C12H13Br2NO4/c13-6-10(14)19-11(16)7-15-12(17)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,17)
InChIKey: CMTVPQLIRWBCIV-UHFFFAOYSA-N
Structure of N-Carbobenzoxyglycine 1,2-dibromoethyl ester (CAS NO.64187-25-3):

N-CARBOBENZOXYGLYCINE-1,2-DIBROMO ETHYL ESTER Toxicity Data With Reference

1.    

ipr-mus TDLo:280 mg/kg (28D pre):REP

     JPMSAE    Journal of Pharmaceutical Sciences. 70 (1981),60.
2.    

ivg-mus LD50:148 mg/kg

     JPMSAE    Journal of Pharmaceutical Sciences. 68 (1979),696.

N-CARBOBENZOXYGLYCINE-1,2-DIBROMO ETHYL ESTER Safety Profile

Poison by intraperitoneal and intravaginal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Br− and NOx. See also ESTERS.

N-CARBOBENZOXYGLYCINE-1,2-DIBROMO ETHYL ESTER Specification

  N-Carbobenzoxyglycine 1,2-dibromoethyl ester , its cas register number is 64187-25-3. It also can be called BRN 2002986 ; Glycine, N-benzyloxycarbonyl-, 1,2-dibromoethyl ester, L- .When N-Carbobenzoxyglycine 1,2-dibromoethyl ester (CAS NO.64187-25-3) is heated to decomposition it emits toxic fumes of Br− and NOx.
 

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