chempirical

1-Chloro-2-methyl-2-propanol

C4H9ClOCAS 558-42-9108.57 g/mol

Open in Covalent MOL file
HOCl
AlcoholAlkyl halide

Properties

Molecular formula
C4H9ClO
Molar mass
108.57 g/mol
Exact mass
108.0342 Da
Density
1.087 g/mL (at 0 °C)
Melting point
−20 °C
Boiling point
128.5 °C
logP
1.00Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
558-42-9
SMILES
CC(C)(O)CCl
InChIKey
JNOZGFXJZQXOSU-UHFFFAOYSA-N
InChI
InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Propanol, 1-chloro-2-methyl-
  • Isobutylene chlorohydrin
  • Chloro-tert-butyl alcohol
  • 1,1-Dimethyl-2-chloroethyl alcohol
  • 2-Chloro-1,1-dimethylethanol
  • NSC 46574

Work with 1-Chloro-2-methyl-2-propanol

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

2,5-Dimethyl-2,5-hexanediol110-03-250 % similar 2-Methyl-1,2-propanediol558-43-045 % similar tert-Amyl alcohol75-85-445 % similar 1-Amino-2-methyl-2-propanol2854-16-243 % similar 1-Chloro-2,2-dimethylpropane753-89-942 % similar 3-Methyl-1,3-butanediol2568-33-441 % similar 2-Methyl-2-pentanol590-36-341 % similar 3-Chloro-2,2-dimethylpropanol13401-56-439 % similar

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

Same formula

1-Chloro-3-methoxypropane36215-07-3 t-Butyl hypochlorite507-40-4 1-Chloro-2-ethoxyethane628-34-2 4-Chloro-1-butanol928-51-8

Elsewhere

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