CAS 479411-95-5 SDS Request & Safety Reference

Preliminary reference disclaimer

This preliminary safety reference is generated from structured MolGraph catalog fields and public reference-style data. It is not a supplier-issued Safety Data Sheet and should not be used as a substitute for supplier-issued documentation, workplace safety review, transport classification, or regulatory compliance decisions. For supplier SDS or COA, submit a documentation request through MolGraph.

Documentation status

Preliminary safety reference

Available

Supplier-issued SDS

Available by request

COA

Available by RFQ / lot confirmation

Transport classification

Requires shipment review

Identity

CAS Number

479411-95-5

Chemical name

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile

Molecular formula

C14H15BF3NO2

Molecular weight

297.08 g/mol

Synonyms

(3-cyano-5-(trifluoromethyl)phenyl)boronic acid pinacol ester; F218541; Z2044744564; 3-Cyano-5-(trifluoromethyl)phenylboronic Acid Pinacol Ester; 3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-5-(TRIFLUOROMETHYL)BENZONITRILE; 3-Trifluoromethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

InChIKey

PDRFNTUDMWZDSL-UHFFFAOYSA-N

PubChem CID

11208698

Hazard / GHS Reference

GHS Pictograms

Catalog reference cue; confirm supplier documentation before use.

Handling & PPE

Handle in a well-ventilated area or under a chemical fume hood.
Avoid contact with skin, eyes, and clothing.
Avoid ingestion and inhalation of dust or vapors.
Store in a cool, dry place, away from incompatible materials.
Keep container tightly closed when not in use.
Wear a laboratory coat to protect personal clothing.
Wear compatible chemical-resistant gloves (e.g., nitrile, neoprene).
Wear appropriate eye protection, such as safety goggles or a face shield.
Use respiratory protection if ventilation is inadequate or if dust/aerosol is generated.

First Aid / Accidental Release

If inhaled, move to fresh air. If not breathing, give artificial respiration.
In case of skin contact, wash with soap and plenty of water. Remove contaminated clothing.
In case of eye contact, rinse thoroughly with plenty of water for at least 15 minutes, lifting lower and upper eyelids.
If swallowed, rinse mouth with water. Do NOT induce vomiting.
Seek medical attention if irritation or symptoms persist or develop.
Avoid dust formation and breathing vapors, mist, or gas.
Ensure adequate ventilation in the area of the spill.
Sweep up and shovel the spilled material carefully.
Place in suitable, closed containers for proper disposal.

Firefighting / Stability

Use dry chemical, carbon dioxide, water spray, or alcohol-resistant foam.
Wear self-contained breathing apparatus (SCBA) for firefighting if necessary.
Wear full protective firefighting gear, including a helmet, coat, trousers, boots, and gloves.
Prevent runoff from fire control from entering waterways or sewers.
Stable under recommended storage conditions.
Avoid strong oxidizing agents, strong acids, and strong bases.
Hazardous decomposition products may include carbon oxides, nitrogen oxides, boron oxides, and hydrogen fluoride.
No known hazardous reactions under normal conditions of use.

Physical and Chemical Reference

Appearance

white crystalline solid

Catalog reference value; verify against supplier SDS before use.

Physical State

solid

Catalog reference value; verify against supplier SDS before use.

Melting Point

119.0 °C

Catalog reference value; verify against supplier SDS before use.

Boiling Point

288.0 °C

Catalog reference value; verify against supplier SDS before use.

Density

1.3 g/cm³

Catalog reference value; verify against supplier SDS before use.

Water Solubility

5.012E-5 mol/L

Catalog reference value; verify against supplier SDS before use.

Flash Point

220.0 °C

Catalog reference value; verify against supplier SDS before use.

Vapor Pressure

Estimated value, unit not specified

Catalog reference value; verify against supplier SDS before use.

Autoignition Temp

450.0 °C

Catalog reference value; verify against supplier SDS before use.

Transport / Shipment Review

HS Code

293190

Preliminary catalog cue; verify before compliance decisions.

GHS Pictograms

Preliminary catalog cue; verify before compliance decisions.

Compliance

standard-ruo

Preliminary catalog cue; verify before compliance decisions.

Registration Status

DSL: pending; AICS: pending; ENCS: pending; ICSR: pending; TSCA: pending; IECSC: pending; INSQR: pending; REACH: pending; K-REACH: pending; SEA_Regulatory: pending

Registration values are catalog reference status cues and may require jurisdiction-specific review.

Shipment review

Shipment details require review before fulfillment.

Transport classification must be confirmed using supplier SDS and shipment documentation before dispatch.

Transport classification must be confirmed using supplier SDS and shipment documentation before dispatch.

Need supplier documentation?

Request through MolGraph:

Supplier-issued SDS
COA
Purity and pack size confirmation
Availability and lead time review
Shipment documentation review

Catalog-Specific Reference Cues

This compound is a trifluoromethylated benzonitrile derivative featuring a pinacol boronic ester group. It serves as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, enabling the introduction of trifluoromethyl and cyano functionalities into target molecules for research purposes.
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 479411-95-5, is a sophisticated organic compound designed for research applications. It features a trifluoromethyl group, a cyano group, and a pinacol boronic ester moiety attached to a benzene ring. This strategic arrangement of functional groups makes it an exceptionally versatile chemical intermediate. Researchers can leverage the boronic ester for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds.
Primarily utilized as a key intermediate in organic synthesis, especially for Suzuki-Miyaura cross-coupling reactions. It is valuable for introducing trifluoromethyl and cyano groups into complex molecular structures in medicinal chemistry and materials science research.

Related catalog entries

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrileView related compound →2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrileView related compound →5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzonitrileView related compound →4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzonitrileView related compound →4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzonitrileView related compound →

Identity

CAS Number

479411-95-5

Chemical name

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile

Molecular formula

C14H15BF3NO2

Molecular weight

297.08 g/mol

Synonyms

InChIKey

PDRFNTUDMWZDSL-UHFFFAOYSA-N

PubChem CID

11208698

Handling & PPE

Handle in a well-ventilated area or under a chemical fume hood.
Avoid contact with skin, eyes, and clothing.
Avoid ingestion and inhalation of dust or vapors.
Store in a cool, dry place, away from incompatible materials.
Keep container tightly closed when not in use.
Wear a laboratory coat to protect personal clothing.
Wear compatible chemical-resistant gloves (e.g., nitrile, neoprene).
Wear appropriate eye protection, such as safety goggles or a face shield.
Use respiratory protection if ventilation is inadequate or if dust/aerosol is generated.

First Aid / Accidental Release

If inhaled, move to fresh air. If not breathing, give artificial respiration.
In case of skin contact, wash with soap and plenty of water. Remove contaminated clothing.
In case of eye contact, rinse thoroughly with plenty of water for at least 15 minutes, lifting lower and upper eyelids.
If swallowed, rinse mouth with water. Do NOT induce vomiting.
Seek medical attention if irritation or symptoms persist or develop.
Avoid dust formation and breathing vapors, mist, or gas.
Ensure adequate ventilation in the area of the spill.
Sweep up and shovel the spilled material carefully.
Place in suitable, closed containers for proper disposal.

Firefighting / Stability

Use dry chemical, carbon dioxide, water spray, or alcohol-resistant foam.
Wear self-contained breathing apparatus (SCBA) for firefighting if necessary.
Wear full protective firefighting gear, including a helmet, coat, trousers, boots, and gloves.
Prevent runoff from fire control from entering waterways or sewers.
Stable under recommended storage conditions.
Avoid strong oxidizing agents, strong acids, and strong bases.
Hazardous decomposition products may include carbon oxides, nitrogen oxides, boron oxides, and hydrogen fluoride.
No known hazardous reactions under normal conditions of use.

Physical and Chemical Reference

Appearance

white crystalline solid

Catalog reference value; verify against supplier SDS before use.

Physical State

solid

Catalog reference value; verify against supplier SDS before use.

Melting Point

119.0 °C

Catalog reference value; verify against supplier SDS before use.

Boiling Point

288.0 °C

Catalog reference value; verify against supplier SDS before use.

Density

1.3 g/cm³

Catalog reference value; verify against supplier SDS before use.

Water Solubility

5.012E-5 mol/L

Catalog reference value; verify against supplier SDS before use.

Flash Point

220.0 °C

Catalog reference value; verify against supplier SDS before use.

Vapor Pressure

Estimated value, unit not specified

Catalog reference value; verify against supplier SDS before use.

Autoignition Temp

450.0 °C

Catalog reference value; verify against supplier SDS before use.

Transport / Shipment Review

HS Code

293190

Preliminary catalog cue; verify before compliance decisions.

GHS Pictograms

Preliminary catalog cue; verify before compliance decisions.

Compliance

standard-ruo

Preliminary catalog cue; verify before compliance decisions.

Registration Status

DSL: pending; AICS: pending; ENCS: pending; ICSR: pending; TSCA: pending; IECSC: pending; INSQR: pending; REACH: pending; K-REACH: pending; SEA_Regulatory: pending

Registration values are catalog reference status cues and may require jurisdiction-specific review.

Shipment review

Shipment details require review before fulfillment.

Transport classification must be confirmed using supplier SDS and shipment documentation before dispatch.

Transport classification must be confirmed using supplier SDS and shipment documentation before dispatch.

Catalog-Specific Reference Cues

This compound is a trifluoromethylated benzonitrile derivative featuring a pinacol boronic ester group. It serves as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, enabling the introduction of trifluoromethyl and cyano functionalities into target molecules for research purposes.
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 479411-95-5, is a sophisticated organic compound designed for research applications. It features a trifluoromethyl group, a cyano group, and a pinacol boronic ester moiety attached to a benzene ring. This strategic arrangement of functional groups makes it an exceptionally versatile chemical intermediate. Researchers can leverage the boronic ester for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds.
Primarily utilized as a key intermediate in organic synthesis, especially for Suzuki-Miyaura cross-coupling reactions. It is valuable for introducing trifluoromethyl and cyano groups into complex molecular structures in medicinal chemistry and materials science research.

CAS 479411-95-5 Safety Reference and Supplier SDS Request

Documentation status

Identity

Hazard / GHS Reference

Handling & PPE

First Aid / Accidental Release

Firefighting / Stability

Physical and Chemical Reference

Transport / Shipment Review

CAS 479411-95-5 Safety Reference and Supplier SDS Request

Documentation status

Identity

Hazard / GHS Reference

Handling & PPE

First Aid / Accidental Release

Firefighting / Stability

Physical and Chemical Reference

Transport / Shipment Review