2-Ethoxy-1-naphthalenecarbonyl chloride

C₁₃H₁₁ClO₂CAS 55150-29-3234.68 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₁₃H₁₁ClO₂
Molar mass: 234.68 g/mol
Exact mass: 234.0448 Da
logP: 3.62Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed36.4% of notifiers
H314 Causes severe skin burns and eye damage81.8% of notifiers
H315 Causes skin irritation18.2% of notifiers
H319 Causes serious eye irritation18.2% of notifiers
H332 Harmful if inhaled36.4% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

55150-29-3

SMILES

CCOc1ccc2ccccc2c1C(=O)Cl

InChIKey

ZRVFFIXOCFUHDA-UHFFFAOYSA-N

InChI

InChI=1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3

Weigh it out

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

Names and synonyms

6 names

1-Naphthalenecarbonyl chloride, 2-ethoxy-
2-Ethoxynaphthoyl chloride
2-Ethoxy-1-naphthoyl chloride
2-Ethoxynaphthalenyl-1-carbonyl chloride
1-(Chloroformyl)-2-ethoxynaphthalene
2-Ethoxynaphthalene-1-carbonyl chloride

Work with 2-Ethoxy-1-naphthalenecarbonyl 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

2-Ethoxy-1-naphthalenecarboxylic acid2224-00-267 % similar 2-Ethoxybenzoyl chloride42926-52-356 % similar 2-Ethoxy-1-naphthalenecarboxaldehyde19523-57-052 % similar Anthracene-9-carbonyl chloride16331-52-551 % similar 1-Ethoxynaphthalene5328-01-851 % similar 4-Ethoxybenzoyl chloride16331-46-744 % similar 1-Naphthoyl chloride879-18-544 % similar 3-Ethoxybenzoyl chloride61956-65-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Acetyl-5-(4-chlorophenyl)-2-methylfuran43020-12-8

Elsewhere

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