1,1-dibromoethane

• ChemBase ID: 125085
• Molecular Formular: C2H4Br2
• Molecular Mass: 187.86116
• Monoisotopic Mass: 185.86797413
• SMILES: CC(Br)Br
• Canonical SMILES: CC(Br)Br
• InChI: InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3
• InChIKey: APQIUTYORBAGEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dibromoethane
• IUPAC Traditional name: dibromide, ethylene
• Synonyms: 1,1-Dibromoethane

Database IDs

• CAS Number: 557-91-5
• EC Number: 209-184-9
• PubChem SID: 162219435
• PubChem CID: 11201
• Chemspider ID: 10728
• Wikipedia Title: 1,1-Dibromoethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1331635
• LogD (pH = 7.4): 1.1331635
• Log P: 1.1331635
• Molar Refractivity: 26.9138 cm^3
• Polarizability: 10.477644 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid
• Boiling Point: 108.05°C (381.2K)
• Flash Point: >93 °C
• Refractive Index: 1.51277

Safety Information

• RTECS: KH9000000
• NFPA704:
  

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