CAS 7397-46-8 Diethylmethoxyborane (HCID 522516)

Substructure search Find similar structures

Basic information

CAS: 7397-46-8
Standard SMILES: CCB(CC)OC
InChIKey: FESAXEDIWWXCNG-UHFFFAOYSA-N
Molecular formula: C5H13BO
Average molar mass: 99.97 g/mol
Monoisotopic mass: 100.10594544

Names & identifiers

Preferred name: Diethylmethoxyborane
IUPAC: diethyl(methoxy)borane
English name: Methoxydiethylborane
Molecular formula: C5H13BO
Molecular weight: 99.97

Names & synonyms

Diethylmethoxyborane7397-46-8UNII-3AH40D7L25Borinic acid, B,B-diethyl-, methyl ester3AH40D7L25EC 425-380-9DTXSID501014679RefChem:133517DTXCID401437216425-380-9FESAXEDIWWXCNG-UHFFFAOYSA-NMethoxydiethylborane

Show more names

MDEB50%inTHF)methoxyboraneMethoxydiethylboronButyl(Methoxy)boraneDiethylboron methoxide

Methyl diethylborinatediethyl(methoxy)boraneBorinic acid, diethyl-, methyl esterMFCD00013240Methoxydiethylborane 50% in tetrahydrofuranDiethyl methoxy boranediethyl methoxyboraneC5H13BO

Database identifiers

CAS: 7397-46-8
PubChem CID: 522516
DTXSID: DTXSID501014679
UNII: 3AH40D7L25
EC Number: 425-380-9、616-038-1
Nikkaji: J81.386I

Properties

Computed structural properties

Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 35.1

Physicochemical properties

Boiling point: 89 · 89-90 °C
Density: 0.761 g/mL · 0.761 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.387(lit.)
RTECS: 6151000 · ED6151000
Flash point: 20 °F · 20 °F
form: Solution
color: Clear colorless to slightly amber
Sensitive: Moisture Sensitive
BRN: 2231225 · 2231225
InChI: InChI=1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3
InChIKey: FESAXEDIWWXCNG-UHFFFAOYSA-N
SMILES: B(OC)(CC)CC
CAS DataBase Reference: 7397 · 7397-46-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 AH40D7L25 · 3AH40D7L25
NIST Chemistry Reference: Diethylmethoxyborane(7397-46-8)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H250: Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids]

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, and P501 (click each P-code to see the statement)

Danger

H225 (89.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P222, P231, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 18-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20047

Hazard Classes and Categories · 4 items

Flam. Liq. 2 (100%)

Flam. Liq. 2 (89.2%)

Pyrophoric liquid - category 1

Pyr. Liq. 1

Safety data

wgk: 2
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29319090
risk_code: 11-36/37/38-22-19-48/22-43-40-37-34-17-53-20/21/22
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07,GHS08
hazard_code: F,Xn,Xi,C

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBorinic acid, B,B-diethyl-, methyl ester: ACTIVE

Applications · 2 items

UsesMethoxydiethylborane is used in analytical studies as a way to identify functional groups in protonated oxygen-containing monofunctional compounds through mass spectrometry.

UsesReactant involved in: Studying a catalyst for ring-opening metathesis polymerization / vinyl insertion polymerizationReformatsky / quaternary Claisen condensationsEnantioselective synthesis of carba-furanose sugarsBorane-mediated control radical polymerization for synthesis of fluoropolymersHomologation reactions with sulfonium ylidesTrialkylborane promoted adhesion to low surface energy plastics