Basic information
- Standard SMILES
[BH4-].[Li+]- InChIKey
UUKMSDRCXNLYOO-UHFFFAOYSA-N- Molecular formula
- BH4Li
- Average molar mass
- 21.8 g/mol
- Monoisotopic mass
- 22.0566087
Names & identifiers
- Preferred name
- Lithium borohydride
- IUPAC
- lithium boranuide
- English name
- Lithium borohydride
- Molecular formula
- BH4Li
- Molecular weight
- 21.78
Names & synonyms
Show more names
Database identifiers
- CAS
16949-15-8- PubChem CID
- 4148881
- DTXSID
DTXSID40895058- UNII
- 8L87X4S4KP
- EC Number
- 241-021-7、935-557-7
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 2
- Formal charge
- 0
- Complexity
- 2
Experimental & physicochemical properties
Physical Description
Lithium borohydride appears as a white to grayish crystalline powder.
White to greyish solid; [CAMEO] White odorless powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 280 °C · 280 °C
- Boiling point
- 66 °C/760mmHg · 66°C/760mmHg
- Density
- 0.896 g/mL · 0.896 g/mL at 25 °C
- Flash point
- 1 °F · −1 °F
- storage temp.
- water-free area
- solubility
- Soluble in ether, THF, and aliphatic aminesSoluble in ether, tetrahydrofuran, aliphatic amines and ethanol.
- form
- Powder
- color
- White
- Specific Gravity
- 0.66 · 0.66
- explosive limit
- 4 · 4.00-75.60%(V)
- Water Solubility
- 2 O · soluble H2O above pH 7, ether, tetrahydrofuran, aliphatic amines [MER06]
- Specific Heat Capacity
- 3.79 J/ · Cp(crystal): 3.79 J/(g·K), at 25℃
- Sensitive
- Air & Moisture Sensitive
- Merck
- 14 · 14,5525
- InChI
- 1S/BH4.Li/h1H4;/q-1;+1
- InChIKey
- UUKMSDRCXNLYOO-UHFFFAOYSA-N
- SMILES
- [Li+].[BH4-]
- CAS DataBase Reference
- 16949 · 16949-15-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 L87X4S4KP · 8L87X4S4KP
- NIST Chemistry Reference
- Lithium tetrahydroborate(16949-15-8)
- EPA Substance Registry System
- Borate(1-), tetrahydro-, lithium (16949-15-8)
- UNSPSC Code
- 26111700 · 26111700
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 260 · H260-H301-H314
- Precautionary statements
- 231 · P231+P232-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- F,T,C,Xn,F+
- Risk Statements
- 14 · 14/15-23/24/25-34-20/21/22-11-40-36/37/38-19-67-66-22-12
- Safety Statements
- 26 · 26-36/37/39-43-45-36/37-16
- RIDADR
- 1413 · UN 1413
- WGK Germany
- 2 · 2
- RTECS
- 2725000 · ED2725000
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HS Code
- 2850 · 2850 00 20
- HazardClass
- 4.3 · 4.3
- PackingGroup
- I
- Storage Class
- 4.3 · 4.3 - Hazardous materials which set free flammable gases upon contact with water
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Corr. 1BWater-react 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H260 (60.3%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases];H261 (39%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases];H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (75.7%): Toxic in contact with skin [Danger Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H331 (75.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P223, P231+P232, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P402+P404, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 136 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Status: Active Update: 19-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30781
Lithium tetrahydroborate: HSNO Approval: HSR004535 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.)
Fire Hazards
Excerpt from ERG Guide 138 [Substances - Water-Reactive (Emitting Flammable Gases)]:;Produce flammable gases on contact with water. May ignite on contact with water or moist air. Some react vigorously or explosively on contact with water. May be ignited by heat, sparks or flames. May re-ignite after fire is extinguished. Some are transported in highly flammable liquids. Runoff may create fire or explosion hazard. (ERG, 2024)
· Produce flammable gases on contact with water.;· May ignite on contact with water or moist air.;· Some react vigorously or explosively on contact with water.;· May be ignited by heat, sparks or flames.;· May re-ignite after fire is extinguished.;· Some are transported in highly flammable liquids.;· Runoff may create fire or explosion hazard.
Health Hazards
Excerpt from ERG Guide 138 [Substances - Water-Reactive (Emitting Flammable Gases)]:;Inhalation or contact with vapors, substance or decomposition products may cause severe injury or death. May produce corrosive solutions on contact with water. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)
· Inhalation or contact with vapors, substance or decomposition products may cause severe injury or death.;· May produce corrosive solutions on contact with water.;· Fire will produce irritating, corrosive and/or toxic gases.;· Runoff from fire control or dilution water may cause environmental contamination.
Hazards Summary
Causes somnolence, convulsions, and ulceration or bleeding from the stomach in oral lethal-dose studies of mice; [RTECS] Decomposed by moist air; A strong reducing agent; Dangerous when wet; [Merck Index] May ignite if moistened with water; [CAMEO] Reacts violently with water evolving highly flammable gases; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS]
Reactivity Profile
LITHIUM BOROHYDRIDE is a strong reducing agent may be easily ignited and burns vigorously once ignited. The powder reacts on contact with water or acids to form hydrogen gas and corrosive products. Reaction with limited amounts of water or moisture may cause ignition after a delay [Gaylord, 1965, p. 22].
DOT Hazard Classification
Lithium borohydride
UN1413
Div 4.3 Dangerous when wet material (49 eCFR § 173.124)
PG I: the degree of danger presented by the material is great;For more information about the packing group assignment, please visit 49 eCFR § 173
Hazard Classes and Categories
Water-react. 1 (60.3%);Water-react. 2 (39%);Acute Tox. 3 (97.8%);Acute Tox. 3 (75.7%);Skin Corr. 1B (100%);Acute Tox. 3 (75.7%)
Water-react. 1 (100%);Acute Tox. 3 (100%);Acute Tox. 3 (100%);Skin Corr. 1B (100%);Acute Tox. 3 (100%)
Flammable agents - 3rd degree, Reactive agents - 2nd degree
Safety & protection
Fire Fighting
Excerpt from ERG Guide 138 [Substances - Water-Reactive (Emitting Flammable Gases)]:;DO NOT USE WATER OR FOAM.;SMALL FIRE: Dry chemical, soda ash, lime or sand.;LARGE FIRE: DRY sand, dry chemical, soda ash or lime or withdraw from area and let fire burn. If it can be done safely, move undamaged containers away from the area around the fire.;FIRE INVOLVING METALS OR POWDERS (ALUMINUM, LITHIUM, MAGNESIUM, ETC.): Use dry chemical, DRY sand, sodium chloride powder, graphite powder or class D extinguishers; in addition, for Lithium you may use Lith-X® powder or copper powder. Also, see ERG Guide 170.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)
Accidental Release Measures
· 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.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.;· Do not touch or walk through spilled material.;· Stop leak if you can do it without risk.;· Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material.;· DO NOT GET WATER on spilled substance or inside containers.;Small Spill;· Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain.;· Dike for later disposal; do not apply water unless directed to do so.;Powder Spill;· Cover powder spill with plastic sheet or tarp to minimize spreading and keep powder dry.;· DO NOT CLEAN-UP OR DISPOSE OF, EXCEPT UNDER SUPERVISION OF A SPECIALIST.
First Aid
Excerpt from ERG Guide 138 [Substances - Water-Reactive (Emitting Flammable Gases)]:;Refer to the "General First Aid" section. Specific First Aid: In case of contact with substance, wipe from skin immediately; flush skin or eyes with running water for at least 20 minutes. (ERG, 2024)
General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· In case of contact with substance, wipe from skin immediately; flush skin or eyes with running water for at least 20 minutes.
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).;· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.
Nonfire Spill Response
Excerpt from ERG Guide 138 [Substances - Water-Reactive (Emitting Flammable Gases)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. DO NOT GET WATER on spilled substance or inside containers.;SMALL SPILL: Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain. Dike for later disposal; do not apply water unless directed to do so.;POWDER SPILL: Cover powder spill with plastic sheet or tarp to minimize spreading and keep powder dry. DO NOT CLEAN-UP OR DISPOSE OF, EXCEPT UNDER SUPERVISION OF A SPECIALIST. (ERG, 2024)
Isolation and Evacuation
Excerpt from ERG Guide 138 [Substances - Water-Reactive (Emitting Flammable Gases)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Immediate precautionary measure;· Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;Large Spill;· Consider initial downwind evacuation for at least 300 meters (1000 feet).;Fire;· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
Protective Action Criteria (PAC)
0.14 [mg/m3]
1.6 [mg/m3]
9.5 [mg/m3]
Personal Protective Equipment (PPE)
Excerpt from ERG Guide 138 [Substances - Water-Reactive (Emitting Flammable Gases)]:;Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)
Emergency Response Planning Guidelines
· DO NOT USE WATER OR FOAM.;Small Fire;· Dry chemical, soda ash, lime or sand.;Large Fire;· DRY sand, dry chemical, soda ash or lime or withdraw from area and let fire burn.;· If it can be done safely, move undamaged containers away from the area around the fire.;Fire Involving Metals or Powders (Aluminum, Lithium, Magnesium, etc.);· Use dry chemical, DRY sand, sodium chloride powder, graphite powder or class D extinguishers; in addition, for Lithium you may use Lith-X® powder or copper powder. Also, see GUIDE 170.;Fire Involving Tanks, Rail Tank Cars or Highway Tanks;· Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.;· Do not get water inside containers.;· Cool containers with flooding quantities of water until well after fire is out.;· Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.;· ALWAYS stay away from tanks in direct contact with flames.
Toxicology
Regulatory information
Regulatory Information
Status: Active Update: 19-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30781
Lithium tetrahydroborate: HSNO Approval: HSR004535 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.)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- ED2725000
- ridadr
- UN 1413
- hs_code
- 2850 00 20
- risk_code
- 14/15-23/24/25-34-20/21/22-11-40-36/37/38-19-67-66-22-12
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- hazard_code
- F,T,C,Xn,F+
- safety_code
- 26-36/37/39-43-45-36/37-16
- hazard_class
- 4.3
- Storage Class
- 4.3 - Hazardous materials which set free flammable gases upon contact with water
- packing_group
- I
- Hazard statements
- H260-H301-H314
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Corr. 1BWater-react 1
- Precautionary statements
- P231+P232-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
UsesLithium borohydride is used as a strong reducing agent. Its principal applications are in organic syntheses for reducing carbonyl groups such as aldehydes, ketones, and esters. It also is used for selectively reducing a carbonyl group in the presence of a nitrile group. Such selective reduction cannot be achieved with lithium aluminum hydride, which is a much stronger reducing agent. The compound also is used to detect free carbonyl groups in proteins and peptides.
UsesStrong reducing agent. Used to reduce compounds containing ketones, aldehydes, ester carbonyls, acid chlorides, lactones, and epoxidesLithium borohydride is a versatile reducing agent for aldehydes, ketones, nitriles, primary amides, acid chlorides, lactones, epoxides, and esters. It is involved in the preparation of intercalation compounds and nanocomposites. It is used as a precursor for other borohydrides and acts as a catalyst in hydroboration reactions. It is known to be good reversible storage compound for anhydrous ammonia and hydrogen.
UsesLithium borohydride (LiBH4) is a complex hydride with a high hydrogen density. It is a strong reducing agent and an electrode material. It has a high gravimetric (18.4 wt%) and volumetric (121 kg/m3) hydrogen storage capacities. It can also be used in lithium-ion batteries.
UsesStrong reducing agent. Used in the reduction of Compounds contg ketonic, aldehydic, or ester carbonyls and a nitrile group, where reduction of the carbonyl, but not of the nitrile group, is wanted. In the determination of free carboxyl groups in peptides and proteins; after esterification and acetylation, only the ester groups, and none of the peptide bonds are reduced.
General DescriptionA white to grayish crystalline powder.
Preparation methods
PreparationLithium borohydride is prepared by reacting ethyllithium with aluminum borohydride: C2H5Li + Al(BH4)3→3LiBH4 + Al(C2H5)3 Alternatively, the compound may be obtained by the reaction of ethyllithium with diborane: C2H5Li + B2H6→LiBH4 + C2H5BH2
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
Linked notes
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