398-63-0

398-63-0 structure
398-63-0 structure

Name 6-fluoro-4H-1,4-benzoxazin-3-one
Synonyms MFCD03424565
6-Fluoro-2H-1,4-benzoxazin-3(4H)-one
6-fluoro-2,4-dihydro-1,4-benzoxazin-3-one
2H-1,4-Benzoxazin-3(4H)-one, 6-fluoro-
Density 1.3±0.1 g/cm3
Boiling Point 322.9±42.0 °C at 760 mmHg
Melting Point 207-211ºC(lit.)
Molecular Formula C8H6FNO2
Molecular Weight 167.137
Flash Point 149.1±27.9 °C
Exact Mass 167.038254
PSA 38.33000
LogP 1.09
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.540
Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 6-Fluoro-2,4-dihydro-1,4-benzoxazin-3-one
Synonyms:

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

Section3. Composition/information on ingredients.
Ingredient name:6-Fluoro-2,4-dihydro-1,4-benzoxazin-3-one
CAS number:398-63-0

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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.
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
Appearance:Not specified
No data
Boiling point:
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C8H6FNO2
Molecular weight: 167.1

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
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
HS Code 2934999090

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Literature: SENEXIS LIMITED; HORWELL, David Christopher; SCOPES, David Ian Carter Patent: WO2011/144578 A1, 2011 ; Location in patent: Page/Page column 32 ;

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Literature: Ramesh, Chintakunta; Raju, B. Rama; Kavala, Veerababurao; Kuo, Chun-Wei; Yao, Ching-Fa Tetrahedron, 2011 , vol. 67, # 6 p. 1187 - 1192

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Literature: Finger et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 94,95, 97

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Literature: Finger et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 94,95, 97

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Literature: SENEXIS LIMITED; HORWELL, David Christopher; SCOPES, David Ian Carter Patent: WO2011/144578 A1, 2011 ;

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398-63-0

Literature: Geng, Bolin; Comita-Prevoir, Janelle; Eyermann, Charles J.; Reck, Folkert; Fisher, Stewart Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 18 p. 5432 - 5435

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Literature: Carbipem Patent: US4755509 A1, 1988 ;
HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%