[3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid

Modify Date: 2024-01-15 20:37:39

[3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid Structure
[3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid structure
Common Name [3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid
CAS Number 874219-35-9 Molecular Weight 197.956
Density 1.3±0.1 g/cm3 Boiling Point 364.8±52.0 °C at 760 mmHg
Molecular Formula C8H8BFO4 Melting Point 253-255ºC
MSDS USA Flash Point 174.4±30.7 °C

 Names

Name 4-Fluoro-3-methoxycarbonylphenylboronic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 364.8±52.0 °C at 760 mmHg
Melting Point 253-255ºC
Molecular Formula C8H8BFO4
Molecular Weight 197.956
Flash Point 174.4±30.7 °C
Exact Mass 198.049973
PSA 66.76000
LogP 1.32
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.514
Storage condition Keep Cold

 MSDS

4-Fluoro-3-(methoxycarbonyl)phenylboronic Acid
(contains varying amounts of Anhydride)
SAFETY DATA SHEET

Section1. IDENTIFICATION
Product name:4-Fluoro-3-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of
Anhydride)
5.3

Section2. HAZARDS IDENTIFICATION
GHS classification
Not classified
PHYSICAL HAZARDS
HEALTH HAZARDS
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritationCategory 2A
ENVIRONMENTAL HAZARDSNot classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal wordWarning
Causes skin irritation
Hazard statements
Causes serious eye irritation
Precautionary statements:
[Prevention]Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response]IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Components:4-Fluoro-3-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of
Anhydride)
Percent:....
874219-35-9
CAS Number:
Synonyms:4-Fluoro-3-(methoxycarbonyl)benzeneboronic Acid (contains varying amounts of
Anhydride)
Chemical Formula:C8H8BFO4
Acid (contains varying amounts of Anhydride)

Section4. FIRST AID MEASURES
Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical:generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions:Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Comply with laws.
Packaging material:

Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection:Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Solid
Acid (contains varying amounts of Anhydride)

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Form:Crystal- Powder
Colour:White - Almost white
Odour:No data available
pH: No data available
Melting point/freezing point:255°C
Boiling point/range:No data available
Flash point:No data available
Flammability or explosive
limits:
Lower:No data available
Upper:No data available
Relative density:No data available
Solubility(ies):
[Water]No data available
[Other solvents]
Soluble:Methanol

Section10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Boron oxides , Hydrogen fluoride
products:

Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC =No data available
NTP =No data available
Reproductive toxicity:No data available

Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
No data available
Crustacea:
Algae:No data available
Persistence / degradability: No data available
BioaccumulativeNo data available
potential(BCF):
Mobility in soil
No data available
Log Pow:
Soil adsorption (Koc):No data available
No data available
Henry's Law
constant(PaM3/mol):

Section13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.
Acid (contains varying amounts of Anhydride)

Section14. TRANSPORT INFORMATION
Hazards Class:Does not correspond to the classification standard of the United Nations
UN-No:Not listed

Section15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases 36/37/38
Safety Phrases 26-36/37/39
HS Code 2931900090

 Synthetic Route

~98%

[3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid Structure

[3-Fluoro-4-(me...

CAS#:874219-35-9

Literature: BIOLIPOX AB; NILSSON, Peter; PELCMAN, Benjamin; KATKEVICS, Martins Patent: WO2010/103278 A1, 2010 ; Location in patent: Page/Page column 111 ;

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2931900090
Summary 2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

 Synonyms

Benzoic acid, 4-borono-2-fluoro-, methyl ester
(4-fluoro-3-methoxycarbonylphenyl)boronic acid
Benzoic acid, 5-borono-2-fluoro-, methyl ester
[4-Fluoro-3-(methoxycarbonyl)phenyl]boronic acid
MFCD06801688
[3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid
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