Triisopropylborat

Triisopropyl borate

HCID 21531CAS 5419-55-6

Grundinformationen

Standard-SMILES
CC(C)OB(OC(C)C)OC(C)C
InChIKey
NHDIQVFFNDKAQU-UHFFFAOYSA-N
Summenformel
C9H21BO3
Durchschnittliche Molmasse
188,07 g/mol
Monoisotopische Masse
188,1583747

Namen und Bezeichner

Bevorzugter Name
Triisopropyl borate
IUPAC
tripropan-2-yl borate
Lokaler Name
Triisopropylborat
Englischer Name
Triisopropyl borate
Summenformel
C9H21BO3
Molmasse
188.07

Namen und Synonyme

TRIISOPROPYL BORATE5419-55-6Isopropyl borateTriisopropyl orthoboratetri-i-PropylborateBoric acid (H3BO3), tris(1-methylethyl) esterBoric acid, tris(1-methylethyl) esterDTXSID7027598Tris(1-methylethyl) borateEINECS 226-529-9YWV817MXF3UN2616
Weitere Namen anzeigen
TIPBB(OiPr)3Triisopropyl boratTriisoproyl borateBORON ISOPROPOXIDETRIISOPROPOXYBORANEtripropan-2-yl borateTRIISOPROPYL BORATE, 98+%BORIC ACID TRIISOPROPYL ESTER
BRN 1701469AI3-61082NSC-9779UNII-YWV817MXF3Boric acid, (H3BO3), triisopropyl esterDTXCID607598EC 226-529-94-01-00-01488 (Beilstein Handbook Reference)

Datenbank-Bezeichner

CAS
5419-55-6
PubChem CID
21531
DTXSID
DTXSID7027598
ChEMBL
CHEMBL1902909
UNII
YWV817MXF3
EC Number
226-529-9
Nikkaji
J35.126A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
27,7 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
6
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Flash Point82 °F (NFPA, 2010)
Vapor Pressure8.6 [mmHg]
Physical Description · 3 Einträge

Triisopropyl borate appears as a colorless liquid. Less dense than water and insoluble in water. Vapors heavier than air. Used to make other chemicals.

Liquid

Colorless liquid; [CAMEO] Colorless liquid with an alcohol-like odor; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
-59 °C · -59 °C
Siedepunkt
139 · 139-141 °C (lit.)
Dichte
0.815 g/mL · 0.815 g/mL at 25 °C (lit.)
Dampfdruck
76 mm · 76 mm Hg ( 75 °C)
Brechungsindex
20 · n20/D 1.376(lit.)
Flammpunkt
62.6 °F · 62.6 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (93.5%): Highly Flammable liquid and vapor [Danger Flammable liquids];H319 (59.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Boric acid (H3BO3), tris(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Boric acid (H3BO3), tris(1-methylethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19978;Status: Active Update: 14-02-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1764

Boric acid, tris(1-methylethyl) ester: Does not have an individual approval but may be used under an appropriate group standard

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 LabelFlammable Liquid
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;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 the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)

· 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 the ground and collect in low or confined areas (sewers, basements, tanks, etc.).;· Vapor explosion hazard indoors, outdoors or in sewers.;· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.;· Runoff to sewer may create fire or explosion hazard.;· Containers may explode when heated.;· Many liquids will float on water.

Health Hazards · 2 Einträge

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;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 asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

· 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 asphyxiation, especially when in closed or confined areas.;· Runoff from fire control or dilution water may cause environmental contamination.

Hazards Summary · 1 Eintrag

A mild eye irritant; Causes somnolence, respiratory depression, and diarrhea in oral lethal-dose studies of rats; Oral LD50 (mouse) = 2,500 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Isopropyl alcohol and Boric acid. See Triethyl borate.

DOT ID and Guide2616 129

Sicherheit und Schutzausrüstung

Fire Fighting · 1 Eintrag

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.;SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane (UN1261) or nitroethane (UN2842).;LARGE FIRE: Water spray, fog or alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. 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. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Accidental Release Measures · 2 Einträge

· 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.;· All equipment used when handling the product must be grounded.;· Do not touch or walk through spilled material.;· Stop leak if you can do it without risk.;· Prevent entry into waterways, sewers, basements or confined areas.;· A vapor-suppressing foam may be used to reduce vapors.;· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.;· Use clean, non-sparking tools to collect absorbed material.;Large Spill;· Dike far ahead of liquid spill for later disposal.;· Water spray may reduce vapor, but may not prevent ignition in closed spaces.

First Aid · 2 Einträge

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;Refer to the "General First Aid" section. Specific First Aid: Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (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:;· Wash skin with soap and water.

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.
Nonfire Spill Response · 1 Eintrag

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;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 for at least 50 meters (150 feet) in all directions.;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.

Regulatorische Informationen

Regulatory Information · 4 Einträge

Boric acid (H3BO3), tris(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Boric acid (H3BO3), tris(1-methylethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19978;Status: Active Update: 14-02-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1764

Boric acid, tris(1-methylethyl) ester: Does not have an individual approval but may be used under an appropriate group standard

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.)

Sicherheitsdaten

F
10-21
wgk
2
tsca
TSCA listed
ridadr
UN 2616 3/PG II/III (TRIISOPROPYL BORATE)
hs_code
29209085
RTECS-Nr.
ED5950000

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make other chemicals; [CAMEO] Used to make pharmaceuticals and as a lubricant additive; [Reference #1]
U.S. Production2023: <75,000 lb;2022: <75,000 lb;2021: <75,000 lb;2020: 1,000,000 - <8,500,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 Einträge

Pharmaceutical and Medicine Manufacturing

Boric acid (H3BO3), tris(1-methylethyl) ester: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTriisopropyl 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.

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