chempirical

5-Chloro-1,3-benzodioxole

C7H5ClO2CAS 7228-38-8156.56 g/mol

Open in Covalent MOL file
ClOO
AcetalAryl halideEther

Properties

Molecular formula
C7H5ClO2
Molar mass
156.56 g/mol
Exact mass
155.9978 Da
Boiling point
65–69 °C
logP
2.07Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
7228-38-8
SMILES
Clc1ccc2c(c1)OCO2
InChIKey
ODQPZHOXLYATLC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2

Weigh it out

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

Names and synonyms

8 names
  • 1,3-Benzodioxole, 5-chloro-
  • Benzene, 4-chloro-1,2-(methylenedioxy)-
  • 1-Chloro-3,4-methylenedioxybenzene
  • NSC 400867
  • 4-Chloro-1,2-methylenedioxybenzene
  • 6-Chloro-1,3-benzodioxole
  • 5-Chlorobenzo[d][1,3]dioxole
  • 3,4-Methylenedioxyphenyl chloride

Work with 5-Chloro-1,3-benzodioxole

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

Piperonyl chloride20850-43-552 % similar Benzodioxol-5-amine14268-66-750 % similar 5-Bromo-1,3-benzodioxole2635-13-450 % similar Sesamol533-31-350 % similar Bis(P-chlorophenoxy)methane555-89-550 % similar 5-Methyl-1,3-benzodioxole7145-99-550 % similar 1,3-Benzodioxole-5-methanamine2620-50-047 % similar Piperonyl alcohol495-76-147 % similar

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

Same formula

2-Chlorobenzoic acid118-91-2 Phenyl chloroformate1885-14-9 2-Chloro-5-methyl-1,4-benzoquinone19832-87-2 3-Chloro-4-hydroxybenzaldehyde2420-16-8 3-Chlorobenzoic acid535-80-8 2-Chloro-4-hydroxybenzaldehyde56962-11-9 5-Chlorosalicylaldehyde635-93-8 4-Chlorobenzoic acid74-11-3

Elsewhere

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