1-Chloro-2-Isocyanatoethane

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Properties Simple | Detailed

Formula C3H4ClNO
IUPAC Name 1-chloro-2-isocyanato-ethane
Molecular Mass 105.523 g·mol−1
Heat of Formation -159.1 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 116.06 Å 3
Surface Area 127.52 Å 2
HOMO Energy -10.58 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-chloroethylisocyanate
  • 2-chloroethyl isocyanate
  • 2-chloroethylisocyanate
  • bb_sc-4063
  • ethane, 1-chloro-2-isocyanato-
CAS Number(s)
  • 1943-83-5
InChIKey BCMYXYHEMGPZJN-UHFFFAOYSA-N
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Elements H C N O Cl