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222978-02-1

222978-02-1 structure
222978-02-1 structure

Name 2-Fluoro-4-(hydroxymethyl)benzenecarbonitrile
Synonyms 2-Fluoro-4-(hydroxymethyl)benzonitrile
Benzonitrile, 2-fluoro-4-(hydroxymethyl)-
Density 1.3±0.1 g/cm3
Boiling Point 287.8±30.0 °C at 760 mmHg
Melting Point 66-68ºC
Molecular Formula C8H6FNO
Molecular Weight 151.138
Flash Point 127.9±24.6 °C
Exact Mass 151.043335
PSA 44.02000
LogP 0.32
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.546
Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 2-Fluoro-4-(hydroxymethyl)benzonitrile
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:2-Fluoro-4-(hydroxymethyl)benzonitrile
CAS number:222978-02-1

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
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.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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.
Store in closed vessels.
Storage:

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
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C8H6FNO
Molecular weight:151.1

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
HS Code 2926909090

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Literature: ASTRAZENECA AB Patent: WO2003/101956 A1, 2003 ; Location in patent: Page 127 ; WO 03/101956 A1

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Literature: US2003/87940 A1, ;

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Literature: DeSolms, S. Jane; Ciccarone, Terrence M.; MacTough, Suzanne C.; Shaw, Anthony W.; Buser, Carolyn A.; Ellis-Hutchings, Michelle; Fernandes, Christine; Hamilton, Kelly A.; Huber, Hans E.; Kohl, Nancy E.; Lobell, Robert B.; Robinson, Ronald G.; Tsou, Nancy N.; Walsh, Eileen S.; Graham, Samuel L.; Beese, Lorena S.; Taylor, Jeffrey S. Journal of Medicinal Chemistry, 2003 , vol. 46, # 14 p. 2973 - 2984

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Literature: Bell, Ian M.; Gallicchio, Steven N.; Abrams, Marc; Beese, Lorena S.; Beshore, Douglas C.; Bhimnathwala, Hema; Bogusky, Michael J.; Buser, Carolyn A.; Culberson, J. Christopher; Davide, Joseph; Ellis-Hutchings, Michelle; Fernandes, Christine; Gibbs, Jackson B.; Graham, Samuel L.; Hamilton, Kelly A.; Hartman, George D.; Heimbrook, David C.; Homnick, Carl F.; Huber, Hans E.; Huff, Joel R.; Kassahun, Kelem; Koblan, Kenneth S.; Kohl, Nancy E.; Lobell, Robert B.; Lynch Jr., Joseph J.; Robinson, Ronald; Rodrigues, A. David; Taylor, Jeffrey S.; Walsh, Eileen S.; Williams, Theresa M.; Zartmant, C. Blair Journal of Medicinal Chemistry, 2002 , vol. 45, # 12 p. 2388 - 2409

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Literature: US6441017 B1, ; US 6441017 B1

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Literature: Journal of Medicinal Chemistry, , vol. 46, # 14 p. 2973 - 2984

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222978-02-1 structure

222978-02-1

Literature: Journal of Medicinal Chemistry, , vol. 46, # 14 p. 2973 - 2984

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222978-02-1

Literature: Journal of Medicinal Chemistry, , vol. 45, # 12 p. 2388 - 2409

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Literature: Journal of Medicinal Chemistry, , vol. 45, # 12 p. 2388 - 2409
HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%