ChemicalBook--->CAS DataBase List--->5419-55-6

5419-55-6

5419-55-6 Structure

5419-55-6 Structure
IdentificationMore
[Name]

Triisopropyl borate
[CAS]

5419-55-6
[Synonyms]

BORIC ACID TRIISOPROPYL ESTER
BORON ISOPROPOXIDE
BORON TRI-I-PROPOXIDE
ISOPROPYL BORATE
TIPB
TRI-I-PROPYLBORATE
TRIISOPROPOXYBORANE
TRIISOPROPYL BORATE
Boric acid (H3BO3), triisopropyl ester
Boric acid, tris(1-methylethyl) ester
boricacid(h3bo3),tris(1-methylethyl)ester
boricacid,tris(1-methylethyl)ester
boricacidtrilsopropylester
boricacidtris(1-methylethyl)ester
borontriisopropoxide
Isopropyl borate, ((C3H7O)3B)
Triisopropoxyboron
triisopropylorthoborate
trisisopropoxyborane
Boric acid triisopropyl ester~Isopropyl borate
[EINECS(EC#)]

226-529-9
[Molecular Formula]

C9H21BO3
[MDL Number]

MFCD00008872
[Molecular Weight]

188.07
[MOL File]

5419-55-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless liquid
[Melting point ]

-59 °C
[Boiling point ]

139-141 °C (lit.)
[density ]

0.815 g/mL at 25 °C(lit.)
[vapor pressure ]

76 mm Hg ( 75 °C)
[refractive index ]

n20/D 1.376(lit.)
[Fp ]

62.6 °F
[storage temp. ]

Flammables area
[solubility ]

Miscible with ether, ethanol, isopropanol and benzene.
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

0.815
[Water Solubility ]

decomposes
[Hydrolytic Sensitivity]

7: reacts slowly with moisture/water
[Sensitive ]

Moisture Sensitive
[Detection Methods]

GC,NMR
[BRN ]

1701469
[InChI]

1S/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3
[InChIKey]

NHDIQVFFNDKAQU-UHFFFAOYSA-N
[SMILES]

CC(C)OB(OC(C)C)OC(C)C
[CAS DataBase Reference]

5419-55-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Boric acid (h3bo3), tris(1-methylethyl) ester(5419-55-6)
[Storage Precautions]

Moisture sensitive;Store under nitrogen
[EPA Substance Registry System]

5419-55-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Danger
[Hazard statements ]

H225
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Hazard Codes ]

F,Xi
[Risk Statements ]

R11:Highly Flammable.
[Safety Statements ]

S7:Keep container tightly closed .
S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S33:Take precautionary measures against static discharges .
S9:Keep container in a well-ventilated place .
[RIDADR ]

UN 2616 3/PG 2
[WGK Germany ]

2
[RTECS ]

ED5950000
[F ]

10-21
[TSCA ]

T
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29209085
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 2
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Isoquinoline-4-boronic acid 2,2-dimethylpropanediol-1,3 cyclic ester-->2-(Trifluormethoxy)phenylboronic acid-->6-Methylpyridine-3-boronic Acid-->2-Formylfuran-5-boronic acid-->3-Cyanopyridin-4-ylboronic acid-->5-Pyrimidinylboronic acid-->4-Cyanopyridin-3-ylboronic acid-->2-Methoxycarbonylphenylboronic acid-->3-Chloro-4-pyridineboronic acid hydrate-->2-Cyanopyridin-3-ylboronic acid-->3-Thiopheneboronic acid-->5-Methylthiophene-2-boronic acid-->5-Methylpyridine-3-boronic acid-->3-Methoxycarbonylphenylboronic acid-->2-Isopropylphenylboronic acid-->4-Hydroxyphenylboronic acid-->3-Chloro-5-fluorophenylboronic acid-->3-Methoxyphenylboronic acid-->5-Fluoro-2-methoxyphenylboronic acid-->2-Phenoxyphenylboronic acid-->2-Methoxyphenylboronic acid-->(6-Ethoxypyridin-3-yl)boronic acid-->2-Methoxy-5-pyridineboronic acid-->2-Cyanophenylboronic acid-->2,6-Difluorophenylboronic acid-->2-Bromopyridine-5-boronic acid-->3-Cyanophenylboronic acid-->2,3-Difluorophenylboronic acid-->5-Methoxypyridine-3-boronic acid-->2-Fluoro-4-methylphenylboronic acid-->5-Chloropyridine-2-boronic acid-->3-Isopropylphenylboronic acid-->4-Chloro-2-methylphenylboronic acid-->1-Naphthylboronic acid-->5-Bromopyridine-3-boronic acid-->2-Bromopyridin-3-ylboronic acid-->(4-Methoxyphenyl)-borane-->4-Carboxylphenylboronic acid pinacol ester-->5-Methyl-2-pyridineboronic acid-->2-Chloropyridine-5-boronic acid
Hazard InformationBack Directory
[General Description]

A colorless liquid. Flash point 93°F. Less dense than water and insoluble in water. Vapors heavier than air. Used to make other chemicals.
[Reactivity Profile]

Borates, such as TRIISOPROPYL BORATE(5419-55-6), behave similarly to esters in that they react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters/borates with alkali metals and hydrides.
[Air & Water Reactions]

Highly flammable. Insoluble in water.
[Health Hazard]

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
[Fire Hazard]

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
[Chemical Properties]

clear colourless liquid
[Uses]

Triisopropyl borate is used as reagent in Pd-catalyzed coupling reaction with aryl halides such as Suzuki reaction. It is used as a reagent for the preparation of the boronic acids and esters; as a Lewis acid catalyst and involved in the ortho-borylation of 1-substituted naphthalenes. Furthermore, it plays an important role as a catalyst for the production of resins, waxes, paints and varnishes.
[Synthesis]

Triisopropyl borate is produced by reacting sodium borohydride and isopropyl alcohol with carbon dioxide in a trickle-bed reactor, followed by distillation to obtain a pure product stream[1].
[References]

[1]Geranios, K., Everett, P., Mei, P., Roll, M., & Bernards, M. (2022). Carbon Dioxide Conversion to Sodium Formate and Valuable Byproduct. 2022 Waste-management Education Research Conference (WERC), 3, 1–11. https://doi.org/10.1109/werc54916.2022.9851364
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Boric acid triisopropyl ester(5419-55-6).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Triisopropyl borate(5419-55-6)1HNMR
Triisopropyl borate(5419-55-6)13CNMR
Triisopropyl borate(5419-55-6)IR1
Triisopropyl borate(5419-55-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Triisopropyl borate, 98+%(5419-55-6)
[Alfa Aesar]

Triisopropyl borate, 98+%(5419-55-6)
[Sigma Aldrich]

5419-55-6(sigmaaldrich)
[TCI AMERICA]

Triisopropyl Borate,>98.0%(T)(5419-55-6)
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