chempirical

Chlorobutanol

C4H7Cl3OCAS 57-15-8177.45 g/mol

Open in Covalent MOL file
HOClClCl
AlcoholAlkyl halide

Properties

Molecular formula
C4H7Cl3O
Molar mass
177.45 g/mol
Exact mass
175.9562 Da
Melting point
97 °C
Boiling point
167 °C
logP
2.13Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
57-15-8
SMILES
CC(C)(O)C(Cl)(Cl)Cl
InChIKey
OSASVXMJTNOKOY-UHFFFAOYSA-N
InChI
InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

26 names · show all
  • 2-Propanol, 1,1,1-trichloro-2-methyl-
  • 1,1,1-Trichloro-2-methyl-2-propanol
  • Acetone chloroform
  • Anhydrous chlorobutanol
  • Chlorbutanol
  • Chlorbutol
  • Chloretone
  • Clortran
  • Methaform
  • Sedaform
  • Trichloro-tert-butyl alcohol
  • 1,1,1-Trichloro-tert-butyl alcohol
  • 2-(Trichloromethyl)-2-propanol
  • β,β,β-Trichloro-tert-butyl alcohol
  • Acetonchloroform
  • Chloreton
  • Dentalone
  • Khloreton
  • Acetochlorone
  • Chlortran
  • 2,2,2-Trichloro-1,1-dimethylethanol
  • Trichlorobutanol
  • Coliquifilm
  • NSC 44794
  • NSC 4596
  • NSC 5208

Work with Chlorobutanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate6001-64-582 % similar Pinacol76-09-553 % similar 1,1,1-Trifluoro-2-methyl-2-propanol507-52-840 % similar Hexachloroethane67-72-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia