Diethylmethoxyborane
Properties
- Molecular formula
- C5H13BO
- Molar mass
- 99.97 g/mol
- Exact mass
- 100.1059 Da
- Boiling point
- 89–90 °C
- logP
- 1.66Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H250 Catches fire spontaneously if exposed to airPyrophoric liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H332 Harmful if inhaledAcute toxicity, inhalation
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H413 May cause long lasting harmful effects to aquatic lifeHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 005-013-00-5), via PubChem.
Precautionary statements
P210, P222, P231, P233, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P405, P501
Identifiers
CAS number
7397-46-8SMILES
CCB(CC)OCInChIKey
FESAXEDIWWXCNG-UHFFFAOYSA-NInChI
InChI=1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Borinic acid, B,B-diethyl-, methyl ester
- Borinic acid, diethyl-, methyl ester
- Methoxydiethylborane
- Methyl diethylborinate
- Diethylboron methoxide
Work with Diethylmethoxyborane
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 borate121-43-735 % similar
Triethylborane97-94-935 % similar
Trimethoxyboroxine102-24-932 % similar
Ethylboronic acid4433-63-030 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.