Tributyl borate

C₁₂H₂₇BO₃CAS 688-74-4230.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₇BO₃
Molar mass: 230.15 g/mol
Exact mass: 230.2053 Da
Density: 0.8567 g/mL (at 20 °C)
Boiling point: 230–231 °C
Flash point: 93.3 °C (open cup)
logP: 3.42Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 12

Hazards

Danger

H302 Harmful if swallowed92.2% of notifiers
H312 Harmful in contact with skin70.9% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage16.5% of notifiers
H319 Causes serious eye irritation83.5% of notifiers
H335 May cause respiratory irritation99.8% of notifiers
H360FD May damage fertility; May damage the unborn child16.5% of notifiers

Aggregated from 629 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

688-74-4

SMILES

CCCCOB(OCCCC)OCCCC

InChIKey

LGQXXHMEBUOXRP-UHFFFAOYSA-N

InChI

InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

Weigh it out

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

Names and synonyms

16 names · show all

Boric acid (H3BO3), tributyl ester
Butyl borate
Butyl borate, B(OBu)3
Borester 2
n-Butyl borate
Tributoxyborane
Tri-n-butoxyborane
Tri-n-butyl borate
Tributoxyboron
Tris(butoxy)borane
Boron tributoxide
Tributyl orthoborate
Boron tri-n-butoxide
Boron tris(butoxide)
NSC 779
B(OC4H9)3

Reactions

n-Butyl borateproduct

Work with Tributyl borate

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

Tripropyl borate688-71-167 % similar Trimethylene borate20905-35-559 % similar Dibutyl ether142-96-153 % similar Glycol dibutyl ether112-48-150 % similar Diethylene glycol dibutyl ether112-73-250 % similar 5,8,11,14,17-Pentaoxaheneicosane112-98-150 % similar Butyl methyl ether628-28-448 % similar Tributyl phosphite102-85-245 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook