Trimethoxyboroxine
Properties
- Molecular formula
- C3H9B3O6
- Molar mass
- 173.53 g/mol
- Exact mass
- 174.0678 Da
- Density
- 1.4 g/mL (at 25 °C)
- Melting point
- 10 °C
- Boiling point
- 130 °C
- logP
- -1.06Crippen estimate
- Polar surface area
- 55.4 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 3
Hazards
Danger
- H225 Highly Flammable liquid and vapor98.8% of notifiers
- H314 Causes severe skin burns and eye damage81.5% of notifiers
- H318 Causes serious eye damage18% of notifiers
- H360 May damage fertility or the unborn child17.7% of notifiers
Aggregated from 606 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
102-24-9SMILES
COB1OB(OC)OB(OC)O1InChIKey
ZFMOJHVRFMOIGF-UHFFFAOYSA-NInChI
InChI=1S/C3H9B3O6/c1-7-4-10-5(8-2)12-6(9-3)11-4/h1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Boroxin, 2,4,6-trimethoxy-
- Boroxin, trimethoxy-
- 2,4,6-Trimethoxyboroxin
- Trimethoxyboroxin
- Boric acid (H3B3O6), trimethyl ester
- TMBX
- NSC 56370
- 2,4,6-Trimethoxy-1,3,5,2,4,6-trioxatriborinane
Work with Trimethoxyboroxine
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
Trimethyl borate121-43-767 % similar
2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1195-66-042 % similar
Boron trioxide1303-86-242 % similar
Diethylmethoxyborane7397-46-832 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.