2,3-dibromofuran

• ChemBase ID: 144531
• Molecular Formular: C4H2Br2O
• Molecular Mass: 225.86608
• Monoisotopic Mass: 223.84723868
• SMILES: c1coc(c1Br)Br
• Canonical SMILES: Brc1occc1Br
• InChI: InChI=1S/C4H2Br2O/c5-3-1-2-7-4(3)6/h1-2H
• InChIKey: GKPGEBCMRMQOPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromofuran
• IUPAC Traditional name: 2,3-dibromofuran
• Synonyms: 2,3-Dibromofuran; 2,3-二溴呋喃

Database IDs

• CAS Number: 30544-34-4
• MDL Number: MFCD01074839
• Beilstein Number: 107511
• PubChem SID: 162238743
• PubChem CID: 7021501

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.351352
• LogD (pH = 7.4): 2.351352
• Log P: 2.351352
• Molar Refractivity: 33.599 cm^3
• Polarizability: 13.493674 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75-78°C/75mm
• Flash Point: 140 °F; 60 °C
• Density: 2.000; 2.117 g/mL at 25 °C
• Refractive Index: 1.5470; n20/D 1.544

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 10-25-41; 36/38
• Safety Statements: 26-37; 26-39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H318; H315-H319
• GHS Precautionary statements: P280-P301 + P310-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%, stab. with 0.5% calcium carbonate
• Empirical Formula (Hill Notation): C4H2Br2O

DETAILS

Sigma Aldrich - 736384

Packaging
1, 5 g in glass bottle