Trimethylboroxine

C₃H₉B₃O₃CAS 823-96-1125.53 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₉B₃O₃
Molar mass: 125.53 g/mol
Exact mass: 126.0831 Da
Melting point: −38 °C
Boiling point: 79.5–80 °C (at 732 Torr)
logP: 0.40Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor30.3% of notifiers
H314 Causes severe skin burns and eye damage30.3% of notifiers
H315 Causes skin irritation69.7% of notifiers
H318 Causes serious eye damage69.7% of notifiers
H335 May cause respiratory irritation69.7% of notifiers

Aggregated from 152 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

823-96-1

SMILES

CB1OB(C)OB(C)O1

InChIKey

GBBSAMQTQCPOBF-UHFFFAOYSA-N

InChI

InChI=1S/C3H9B3O3/c1-4-7-5(2)9-6(3)8-4/h1-3H3

Weigh it out

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

Names and synonyms

8 names

Trimethylboroxin
Boroxin, 2,4,6-trimethyl-
Boroxin, trimethyl-
2,4,6-Trimethylboroxin
Methaneboronic anhydride
2,4,6-Trimethylboroxine
2,4,6-Trimethyl-1,3,5,2,4,6-trioxatriborinane
Trimethyl-1,3,5,2,4,6-trioxatriborinane

Work with Trimethylboroxine

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

Methyl boronic acid pinacol ester94242-85-035 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook