2,3-Dichlorotetrahydrofuran
Properties
- Molecular formula
- C4H6Cl2O
- Molar mass
- 140.99 g/mol
- Exact mass
- 139.9796 Da
- Density
- 1.336 g/mL (at 16 °C)
- Boiling point
- 62–63 °C (at 20 Torr)
- logP
- 1.58Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
3511-19-1SMILES
ClC1CCOC1ClInChIKey
ZQHLMWUFVRLDRK-UHFFFAOYSA-NInChI
InChI=1S/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.98 (d, J = 7.0 Hz, 1H), 5.07 (q, J = 7.0 Hz, 1H), 3.76 (t, J = 7.0 Hz, 2H), 2.48 (q, J = 7.0 Hz, 2H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 110.0, 67.6, 64.0, 33.6.[M + H]+
[M + H]+ Calcd for C4H7Cl2O 140.9868[M + Na]+
[M + Na]+ Calcd for C4H6Cl2NaO 162.9688[M − H]−
[M − H]− Calcd for C4H5Cl2O 138.9723Elemental analysis
Anal. Calcd for C4H6Cl2O: C, 34.08; H, 4.29.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 name
- Furan, 2,3-dichlorotetrahydro-