Chlorphenesin

C₉H₁₁ClO₃CAS 104-29-0202.63 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether

Properties

Molecular formula: C₉H₁₁ClO₃
Molar mass: 202.63 g/mol
Exact mass: 202.0397 Da
Melting point: 78 °C
logP: 1.07Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed30.6% of notifiers
H315 Causes skin irritation84.1% of notifiers
H318 Causes serious eye damage13.3% of notifiers
H319 Causes serious eye irritation69.7% of notifiers
H332 Harmful if inhaled10.8% of notifiers
H335 May cause respiratory irritation35.1% of notifiers

Aggregated from 353 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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

104-29-0

SMILES

OCC(O)COc1ccc(Cl)cc1

InChIKey

MXOAEAUPQDYUQM-UHFFFAOYSA-N

InChI

InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2

Weigh it out

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

Names and synonyms

17 names · show all

1,2-Propanediol, 3-(4-chlorophenoxy)-
1,2-Propanediol, 3-(p-chlorophenoxy)-
3-(4-Chlorophenoxy)-1,2-propanediol
Adermykon
p-Chlorophenyl glyceryl ether
p-Chlorophenyl-α-glyceryl ether
Glycerol α-p-chlorophenyl ether
Mycil
3-(p-Chlorophenoxy)propane-1,2-diol
Demykon
Gecophen
p-Chlorphenesin
(±)-Chlorphenesin
(±)-p-Chlorphenesin
Elestab CPN
NSC 6401
1,2-Ethanediol, 1-(4-chlorophenoxy)-

Work with Chlorphenesin

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

3-Phenoxy-1,2-propanediol538-43-266 % similar Chlorphenesin carbamate886-74-857 % similar 2-(4-Chlorophenoxy)ethanol1892-43-950 % similar Bis(p-chlorophenoxy)methane555-89-548 % similar Alpha,4-Dichloroanisole21151-56-445 % similar (±)-Mephenesin59-47-245 % similar Guaifenesin93-14-145 % similar 1-Chloro-4-ethoxybenzene622-61-744 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook