Boron trifluoride

HCID 6356CAS 20654-88-0

Basic information

Standard SMILES
FB(F)F
InChIKey
WTEOIRVLGSZEPR-UHFFFAOYSA-N
Molecular formula
BF3
Average molar mass
67.81 g/mol
Monoisotopic mass
68.00451506

Overview

Boron trifluoride is a colorless gas with a pungent odor. It is toxic by inhalation. It is soluble in water and slowly hydrolyzed by cold water to give off hydrofluoric acid, a corrosive material. Its vapors are heavier than air. Prolonged exposure of the containers to fire or heat may result in their violent rupturing and rocketing.

Names & identifiers

Preferred name
Boron trifluoride
IUPAC
trifluoroborane
English name
Boron trifluoride
Molecular formula
BF3
Molecular weight
67.81

Names & synonyms

BORON TRIFLUORIDETrifluoroboraneTrifluoroboronBorane, trifluoro-7637-07-2Fluorure de boreBoron fluoride (BF3)Anca 10407JGD48PX8PDTXSID7041677CHEBI:33093RefChem:5613
Show more names
BF3BoronTrifuorideanca1040Bortrifluoridfluoruredeboretrifluoro-borantrifluoro-Borane
DTXCID5021677231-569-5Boron fluorideBoron trifluoride-methanol16045-88-8Boron trifluoride10B15875-25-9(11B)Boron trifluoride

Database identifiers

CAS
20654-88-0、7637-07-2
PubChem CID
6356
DTXSID
DTXSID7041677
ChEMBL
CHEMBL2220705
ChEBI
CHEBI:33093
UNII
7JGD48PX8P
EC Number
231-569-5
Nikkaji
J2.264K

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
4

Experimental & physicochemical properties

Chemical Classes · 2 items

Toxic Gases & Vapors -> Corrosive Gases

Reactive agents - 1st degree

PFASPFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
SpringerMaterials Propertiescrystal structure
Odor · 2 items

Pungent, suffocating odor

Pungent, irritating

Density · 6 items

1.6 (EPA, 1998) - Denser than water; will sink

1.57 at -100.4 °C/4 °C (liquid); 3.07666 g/L (gas at STP)

Density: 2.772 g/L

1.6

2.99 @25 °C

2.38(relative gas density)

Viscosity0.0171 m Pa.s (gas) at 25 °C

Physicochemical properties

Melting point
127 °C · −127 °C(lit.)
Boiling point
100 °C · −100 °C(lit.)
Density
0.87 g/mL · 0.87 g/mL at 20 °C
vapor density
2.38 · 2.38 (21 °C, vs air)
vapor pressure
1 mmHg · >1 mmHg at 20 °C
refractive index
20 · n20/D 1.38

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H280 (69.9%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]

P260, P261, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P363, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)

Hazard information

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)
Regulatory Information · 4 items

Chemical: Borane, trifluoro-

Status: Active Update: 17-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5175

Borane, trifluoro-: HSNO Approval: HSR001055 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelPoison Gas Corrosive
Fire Hazards · 3 items

When heated to decomposition or upon contact with water or steam, it will produce toxic and corrosive fumes of fluorine containing compounds. Decomposes upon heating or on contact with moist air, forming toxic and corrosive fumes of boric acid and hydrofluoric acid. Reacts with alkalis and fumes in moist air, producing particulates which reduce visibility. Reacts with alkali metals, alkaline earth metals (except magnesium), alkyl nitrates, and calcium oxide. It hydrolyzes in moist air to form boric acid, hydrofluoric acid, and fluoboric acid. (EPA, 1998)

· Some may burn but none ignite readily.

Not combustible.

Fire Potential · 2 items

Nonflammable compressed gas.

Nonflammable

Health Hazards · 2 items

Highly toxic; may cause death or permanent injury after very short exposure to small quantities. Substance is irritating to the eyes, the skin, and the respiratory tract. (EPA, 1998)

· TOXIC and/or CORROSIVE; may be fatal if inhaled, ingested or absorbed through skin.

Safety & protection

Fire Fighting · 2 items

Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Ventilate closed spaces before entering them. Wear positive pressure breathing apparatus and full protective clothing. Evacuate area endangered by gas. Do not get water inside container. Move container from fire area if you can do it without risk. Stay away from ends of tanks. Cool containers that are exposed to flames with water from the side until well after fire is out. Isolate area until gas has dispersed.

In case of fire in the surroundings: use appropriate extinguishing media. In case of fire: keep cylinder cool by spraying with water. NO direct contact with water.

First Aid Measures · 3 items

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.

Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer immediately for medical attention.

Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.

Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch or walk through spilled material.

First Aid · 3 items

Warning: Boron trifluoride is extremely corrosive. Caution is advised.

General First Aid:

(General first aid procedures)

Safe StorageSeparated from alkali metals, alkaline earth metals, alkyl nitrates and lime. Cool.
Exposure Control and Personal Protection · 2 items

· Wear positive pressure self-contained breathing apparatus (SCBA).

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Toxicology

Target OrgansEyes, skin, respiratory system, kidneys
Ecotoxicity ValuesLC50; Species: Lepomis macrochirus (Bluegill); Conditions: static; Concentration: 15 g/L for 24 hr /formulated product/
Adverse EffectsDermatotoxin - Skin burns.
Exposure Routes · 2 items

The substance can be absorbed into the body by inhalation. Serious local effects on contact with skin.

inhalation, skin and/or eye contact

Signs and Symptoms · 4 items

Burning sensation. Cough. Laboured breathing.

Redness. Burning sensation. Pain. ON CONTACT WITH LIQUID: FROSTBITE.

Redness. Pain. Blurred vision.

irritation eyes, skin, nose, respiratory system; epistaxis (nosebleed); eye, skin burns; In Animals: pneumonitis; kidney damage

ICSC Environmental DataThe substance is harmful to aquatic organisms.

Regulatory information

CERCLA Reportable Quantities · 1 item

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Boron trifluoride is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 500 lbs.

DHS Chemicals of Interest (COI) · 6 items

Boron trifluoride

1

5000

26.87

45

Toxic chemical that can be released at a facility.

State Drinking Water Guidelines · 5 items

(CA) CALIFORNIA 1000 ug/L /Boron/

(NH) NEW HAMPSHIRE 630 ug/L /Boron/

(ME) MAINE 1,400 ug/L /Boron/

(MN) MINNESOTA 1,000 ug/L /Boron/

(WI) WISCONSIN 960 ug/L /Boron/

Federal Drinking Water GuidelinesEPA 600 ug/L /Boron/

Safety data

F
21
OEL
Ceiling: 1 ppm (3 mg/m3)
wgk
3
IDLA
25 ppm
tsca
TSCA listed
rtecs
ED2275000

Chemistry & industry

Pharmacology

Biological Half-LifeWhole body (for boron administered orally): complete removal within 96 hours; [TDR, p. 205]
Absorption, Distribution and Excretion · 1 item

... /During inhalation exposures up to 6 months at concentrations of 12.8 ppm, 3-4 ppm and 1.5 ppm/ the average fluorine content of rat teeth and bone was elevated at all exposure levels but not in soft tissues analyzed, lung, liver and blood.

Uses & manufacturing

Uses · 6 items

Used as a catalyst in organic synthesis, including olefin polymerization, petroleum cracking and desulfurization, and epoxy curing; Has been used in soldering flux, as a fumigant, for neutron measurement, and to protect molten magnesium; Also used in electronics industry (electrochemical high-temperature cells) and to produce microchips (metal etching agent); [ACGIH]

Brazing [Category: Heat or Machine]

A catalyst in organic synthesis, boron trifluoride is used in soldering fluxes, for neutron measurement and as a fumigant. Boron trifluoride is also used to protect molten magnesium and its alloys from oxidation.

The most important uses are in organic syntheses. Boron trifluoride is commonly used as a catalyst for Friedel-Crafts alkylation reactions. It also is used to catalyze the cleavage of ethers to alcohols, to catalyze esterification reactions, and in the nitration and sulfonation of aromatic compounds. Many olefin polymerization reactions use BF3 as an initiator, in conjunction with a proton donor, such as water. Also BF3 is used to catalyze the isomerization of alkenes and alkanes and in petroleum cracking and desulfurization. Amine complexes of BF3 are used as epoxy curing agents.

To protect molten magnesium and its alloys from oxidation; as a flux for soldering magnesium; as a fumigant; in ionization chambers for the detection of weak neutrons.

Production of diborane, instruments for measuring neutron intensity, ... gas brazing.

Impurities · 2 items

Common impurities in BF3 include air, silicon tetrafluoride, and sulfur dioxide.

1.0% nitrogen; <0.006% sulfur dioxide; <0.0006% ferric oxide; <0.003% silicon dioxide; traces of oxygen.

U.S. ProductionProduction volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Borane, trifluoro-. Aggregated National Production Volume: <500,000 lbs.
Methods of Manufacturing · 5 items

Commercially, BF3 has been produced by the stepwise addition of hydrofluoric acid and sulfuric acid to anhydrous borax (sodium tetraborate).

From borax and hydrofluoric acid or from boric acid and ammonium bifluoride. The complex formed is then treated with cold-fuming sulfuric acid.

Preparation: Swinehart, US 2148514, US 2196907 (1939, 1940 both to Harshaw Chemical)

Wiesboeck, US 3690821 (1972 to U.S. Steel)

Boron trifluoride is made commercially in the United States by a proprietary process from boric acid and hydrofluoric acid.

Formulations/Preparations · 4 items

Grades: Pure (99% min)

10% boron trifluoride in methanol

99.5% boron trifluoride hydrate; boron trifluoride dihydrate, 95%

Boron trifluoride is available in quantity as a 99% pure gas.

Household ProductsInformation on 1 consumer products that contain Boron trifluoride in the following categories is provided:
Applications · 5 items

DescriptionBoron trifluoride is the inorganic compound with the formula BF3. It is a highly toxic, colorless and nonflammable gas with a penetrating and pungent odor. It dissolves quickly in water and any organic compounds containing nitrogen or oxygen. It can be slowly hydrolyzed by cold water to give off hydrofluoric acid, and can also hydrolyzes to form white dense fumes in moist air. Its vapors are heavier than air. Inhaling the gas will irritate the respiratory system and burns can result if the gas touches the skin in high concentrations.boron trifluoride lewis structureBoron trifluoride is most importantly used as a reagent, typically as a Lewis acid, to catalyze such diverse operations as isomerization, alkylation, polymerization, esterfication, condensation, cyclization, hydration dehydration, sulfonation, desulfurization nitration, halogenation oxidation and acylation. Besides, it can also be used as a versatile building block for other boron compounds.

DescriptionBoron trifluoride is a nonflammable, colorlessgas with a pungent, suffocating odor. Forms dense whitefumes in moist air. Shipped as a nonliquefied compressedgas. Molecular weight=67.8; Relative vapor density (air-5 1)=2.38; Boiling point=2100℃; Freezing/Meltingpoint=-127℃. Hazard Identification (based on NFPA-704 M Rating System): Health 3, Flammability 0,Reactivity 1 . Reacts with water; solubility in coldwater=106%.

UsesBoron trifluoride is used as a catalyst for polymerizations, alkylations, and condensation reactions; To protect molten magnesium and its alloys from oxidation; as a gas flux for internal soldering or brazing; in ionization chambers for the detection of weak neutrons; and as a source of B10 isotope. By far the largest application of boron trifluoride is in catalysis with and without promoting agents.

UsesBoron trifluoride is the most widely used boron halide. Most applications take advantage of its strong Lewis acidity. The most important uses are in organic syntheses. Boron trifluoride is commonly used as a catalyst for Friedel-Crafts alkylation reactions. It also is used to catalyze the cleavage of ethers to alcohols, to catalyze esterification reactions, and in the nitration and sulfonation of aromatic compounds. Many olefin polymerization reactions use BF3 as an initiator, in conjunction with a proton donor, such as water. Also BF3 is used to catalyze the isomerization of alkenes and alkanes and in petroleum cracking and desulfurization. Amine complexes of BF3 are used as epoxy curing agents.

General DescriptionBoron trifluoride is a colorless gas with a pungent odor. Boron trifluoride is toxic by inhalation. Boron trifluoride is soluble in water and slowly hydrolyzed by cold water to give off hydrofluoric acid, a corrosive material. Its vapors are heavier than air. Prolonged exposure of the containers to fire or heat may result in their violent rupturing and rocketing.

Preparation methods

PreparationBoron trifluoride is prepared by treating borax with hydrofluoric acid; or boric acid with ammonium bifluoride. The complex intermediate product is then treated with cold fuming sulfuric acid.

Additional notes

DefinitionChEBI: Boron trifluoride is a boron fluoride.

Related reactions

1,001 records

Linked notes

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