5-Chloro-1,3-benzodioxole
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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
7228-38-8SMILES
Clc1ccc2c(c1)OCO2InChIKey
ODQPZHOXLYATLC-UHFFFAOYSA-NInChI
InChI=1S/C7H5ClO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2Weigh 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
1-Iodo-3,4-methylenedioxybenzene5876-51-750 % similar
5-Methyl-1,3-benzodioxole7145-99-550 % similar
Benzo-1,3-dioxole-5-methylamine2620-50-047 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.