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425378-68-3

425378-68-3 structure
425378-68-3 structure

Name 2-Fluoro-5-Nitrophenylboronic Acid Pinacol Ester
Synonyms 2-(2-Fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,3,2-Dioxaborolane, 2-(2-fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-
2-(2-Fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
Density 1.2±0.1 g/cm3
Boiling Point 355.3±32.0 °C at 760 mmHg
Molecular Formula C12H15BFNO4
Molecular Weight 267.061
Flash Point 168.7±25.1 °C
Exact Mass 267.107819
PSA 64.28000
LogP 2.55630
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.504
Storage condition 2-8°C
Material Safety Data Sheet

Section1. Identification of the substance
2-Fluoro-5-nitrophenylboronic acid, pinacol ester
Product Name:
Synonyms:2-(2-Fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P302+P352:IF ON SKIN: Wash with soap and water
P321:Specific treatment (see on this label)
P405:Store locked up

Section3. Composition/information on ingredients.
2-Fluoro-5-nitrophenylboronic acid, pinacol ester
Ingredient name:
CAS number:425378-68-3

Section4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels, refrigerated.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Not specified
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C12H15BFNO4
Molecular weight:267.1

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Hazard Codes Xi: Irritant;
HS Code 2931900090

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425378-68-3 structure

425378-68-3

Literature: MERCK SHARP and DOHME LIMITED Patent: WO2003/99816 A1, 2003 ; Location in patent: Page 45-46 ; WO 03/099816 A1

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425378-68-3 structure

425378-68-3

Literature: Russell, Michael G. N.; Carling, Robert W.; Street, Leslie J.; Hallett, David J.; Goodacre, Simon; Mezzogori, Elena; Reader, Michael; Cook, Susan M.; Bromidge, Frances A.; Newman, Robert; Smith, Alison J.; Wafford, Keith A.; Marshall, George R.; Reynolds, David S.; Dias, Rebecca; Ferris, Pushpindar; Stanley, Jo; Lincoln, Rachael; Tye, Spencer J.; Sheppard, Wayne F. A.; Sohal, Bindi; Pike, Andrew; Dominguez, Maria; Atack, John R.; Castro, Jose L. Journal of Medicinal Chemistry, 2006 , vol. 49, # 4 p. 1235 - 1238
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%