CAS 33725-74-5 Tetrabutylammonium borohydride (HCID 169536)

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Basic information

CAS: 33725-74-5
Standard SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[BH4-]
InChIKey: GMBOFJFPOCGSOI-UHFFFAOYSA-N
Molecular formula: C16H40BN
Average molar mass: 257.3 g/mol
Monoisotopic mass: 257.32538068

Overview

structure in first source

Names & identifiers

Preferred name: Tetrabutylammonium borohydride
IUPAC: boranuide;tetrabutylazanium
English name: Tetrabutylammonium borohydride
Molecular formula: C16H40BN
Molecular weight: 257.31

Names & synonyms

Tetrabutylammonium borohydride33725-74-51-Butanaminium, N,N,N-tributyl-, tetrahydroborate(1-) (1:1)RefChem:430826251-658-2Tetrabutylammonium tetrahydroborateTetrabutylammonium boranateboranuide;tetrabutylazaniumTBABTetra Butyl Ammonium BorohydrideEINECS 251-658-21-Butanaminium, N,N,N-tributyl-, tetrahydroborate(1-)

Show more names

Cyanoborohydrideammonium borohydrideboranuide[Reducing Reagent]N,N,N-Tributyl-1-BTetrabutylammoniumboranatetetrabutylazanium boranuideTetrabutylammoniumBorohydrateetrabutylammonium borohydrideTETRABUTYLAMMONIUM BORHYDRIDE

N,N,N-Tributyl-1-butanaminium tetrahydroboratetetra-n-butyl ammonium borohydrideTetrabutylammonium borohydride, 98%tetrabutylammoniumborohydrideC16H40BNtetrahydro-Borate(1-) N,N,N-tributyl-1-butanaminium; Tetrabutylammonium Borohydride; Tetrabutylammonium Tetrahydroborate; Tetrabutylammonium tetrahydroborate(1-);SCHEMBL57921orb2939250

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 12
Heavy atoms: 18
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 124 · 124-128 °C (lit.)
Flash point: 140 ° · 140°(284°F)
storage temp.: 30 °C · Store below +30°C.
solubility: Chloroform (Sparingly), DMSO (Sparingly, Heated, Sonicated), Methanol (Slightly
form: Crystalline Powder and Chunks
color: White
Water Solubility: Soluble
Sensitive: Moisture Sensitive
BRN: 4212332 · 4212332
Stability: Hygroscopic, Moisture Sensitive
InChI: InChI=1S/C16H36N.BH4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H4/q+1;-1
InChIKey: GMBOFJFPOCGSOI-UHFFFAOYSA-N
SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[B+3]([H-])([H-])([H-])[H-]
CAS DataBase Reference: 33725 · 33725-74-5(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1-Butanaminium, N,N,N-tributyl-, tetrahydroborate(1-) (33725-74-5)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H261 (100%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]

P231+P232, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 101 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: Tetrabutylammonium tetrahydroborate (EC: 251-658-2)

Hazard Classes and CategoriesWater-react. 2 (100%)

Safety data

F: 10
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3131 4.3/PG 2
hs_code: 29239000
risk_code: 15-34-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C,Xi
hazard_note: Flammable/Corrosive/Moisture Sensitive
safety_code: 26-36/37/39-43-7/8-37/39-25
hazard_class: 4.3
Storage Class: 4.3 - Hazardous materials which set free flammable gases upon contact with water

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Butanaminium, N,N,N-tributyl-, tetrahydroborate(1-) (1:1): ACTIVE

Applications

UsesTetrabutylammonium Borohydride is a strong reducing agent used in the synthesis of hyperbranched polyglycerol grafting on the surface of silica-coated nanoparticles.