2-Chloro-1,4-diethoxybenzene

C10H13ClO2CAS 52196-74-4200.66 g/mol

Open in Covalent MOL file
OOCl
Aryl halideEther

Properties

Molecular formula
C10H13ClO2
Molar mass
200.66 g/mol
Exact mass
200.0604 Da
Melting point
15 °C
Boiling point
128–129 °C (at 9 Torr)
logP
3.14Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
52196-74-4
SMILES
CCOc1ccc(OCC)c(Cl)c1
InChIKey
ZIMKMIAIVORSSX-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 2-chloro-1,4-diethoxy-
  • 2,5-Diethoxy-1-chlorobenzene
  • 2,5-Diethoxychlorobenzene
  • NSC 89737

Work with 2-Chloro-1,4-diethoxybenzene

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-Chloro-2-ethoxybenzene614-72-263 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-358 % similar 2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)313545-44-758 % similar 2,5-Diethoxythiophenol29236-93-958 % similar 2,5-Diethoxyaniline94-85-958 % similar 1,3-Diethoxybenzene2049-73-255 % similar 1,4-Diethoxybenzene122-95-252 % similar 1-Chloro-4-ethoxybenzene622-61-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(tert-Butyl)-2-methylfuran-3-carbonyl chloride96543-75-8

Elsewhere

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