1,2,4-Trimethoxybenzene
Properties
- Molecular formula
- C9H12O3
- Molar mass
- 168.19 g/mol
- Exact mass
- 168.0786 Da
- Boiling point
- 247 °C
- logP
- 1.71Crippen estimate
- Polar surface area
- 27.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
135-77-3SMILES
COc1ccc(OC)c(OC)c1InChIKey
AGIQIOSHSMJYJP-UHFFFAOYSA-NInChI
InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzene, 1,2,4-trimethoxy-
- 1,2,4-Benzenetriol trimethyl ether
- TMB 124
- 1,3,4-Trimethoxybenzene
- 1,2,5-Trimethoxybenzene
- Hydroxyhydroquinone trimethyl ether
- 2,4-Dimethoxyanisole
Work with 1,2,4-Trimethoxybenzene
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,5-Dimethoxyaniline102-56-764 % similar
2,5-Dimethoxytoluene24599-58-464 % similar
2,4-Dimethoxyaniline2735-04-864 % similar
2,5-Dimethoxythiophenol1483-27-862 % similar
1-Bromo-2,4-dimethoxybenzene17715-69-462 % similar
1-Fluoro-2,4-dimethoxybenzene17715-70-762 % similar
2,5-Dimethoxyphenol18113-18-362 % similar
1-Iodo-2,4-dimethoxybenzene20469-63-062 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds