Piperonyl chloride

C₈H₇ClO₂CAS 20850-43-5170.59 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Melting point: 20.5 °C
Boiling point: 134–135 °C (at 14 Torr)
logP: 2.15Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

20850-43-5

SMILES

ClCc1ccc2c(c1)OCO2

InChIKey

DWSUJONSJJTODA-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5H2

Weigh it out

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

Names and synonyms

8 names

1,3-Benzodioxole, 5-(chloromethyl)-
Toluene, α-chloro-3,4-(methylenedioxy)-
5-(Chloromethyl)-1,3-benzodioxole
3,4-(Methylenedioxy)benzyl chloride
4-Chloromethyl-1,2-methylenedioxybenzene
Benzo[1,3]dioxol-5-ylmethyl chloride
NSC 127686
5-(Chloromethyl)benzodioxole

Work with Piperonyl 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

1,3-Benzodioxole-5-methanamine2620-50-059 % similar Piperonyl alcohol495-76-159 % similar Veratryl chloride7306-46-957 % similar 1,3-Benzodioxole-5-ethanamine1484-85-155 % similar 1,3-Benzodioxole-5-acetonitrile4439-02-553 % similar Safrole94-59-753 % similar 5-Chloro-1,3-benzodioxole7228-38-852 % similar 1-Piperonylpiperazine32231-06-451 % similar

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

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

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