1-Chloro-3,5-dimethoxybenzene
Properties
- Molecular formula
- C8H9ClO2
- Molar mass
- 172.61 g/mol
- Exact mass
- 172.0291 Da
- Melting point
- 38 °C
- Boiling point
- 113 °C (at NaN Torr)
- logP
- 2.36Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
7051-16-3SMILES
COc1cc(Cl)cc(OC)c1InChIKey
WQHNWJBSROXROL-UHFFFAOYSA-NInChI
InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 1-chloro-3,5-dimethoxy-
- 5-Chloro-1,3-dimethoxybenzene
- 3,5-Dimethoxychlorobenzene
- 5-Chlororesorcinol dimethyl ether
- 1,3-Dimethoxy-5-chlorobenzene
- NSC 220095
Work with 1-Chloro-3,5-dimethoxybenzene
Similar compounds
1,3-Dichloro-5-methoxybenzene33719-74-389 % similar
1-Chloro-3-fluoro-5-methoxybenzene202925-08-468 % similar
3-Chloro-5-methoxyphenol65262-96-668 % similar
1,3,5-Trimethoxybenzene621-23-867 % similar
3-Chloroanisole2845-89-863 % similar
3-Chloro-5-methoxybenzeneboronic acid915201-07-961 % similar
4-Chloroanisole623-12-157 % similar
3-Chloro-5-methoxybenzoic acid82477-67-655 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.