Piperonyloyl chloride

C₈H₅ClO₃CAS 25054-53-9184.57 g/mol

Open in Covalent MOL file

Acetal Acyl halide Ether

Properties

Molecular formula: C₈H₅ClO₃
Molar mass: 184.57 g/mol
Exact mass: 183.9927 Da
logP: 1.79Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

25054-53-9

SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)Cl

InChIKey

ZRSGZIMDIHBXIN-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClO3/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

1,3-Benzodioxole-5-carbonyl chloride

Work with Piperonyloyl chloride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Acetyl-1,3-benzodioxole3162-29-659 % similar 3,4-Dimethoxybenzoyl chloride3535-37-359 % similar 1,3-Benzodioxole-5-carboxylic acid94-53-159 % similar 2,3-Dihydro-1-benzofuran-5-carbonyl chloride55745-71-658 % similar 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride127163-51-356 % similar 3,4-Methylenedioxypropiophenone28281-49-456 % similar 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-156 % similar 1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one52190-28-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloropiperonal15952-61-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook