7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE

Modify Date: 2024-01-02 22:23:32

7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE Structure
7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE structure
Common Name 7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
CAS Number 81721-86-0 Molecular Weight 194.14400
Density 1.474g/cm3 Boiling Point 429.4ºC at 760 mmHg
Molecular Formula C8H6N2O4 Melting Point 232-234ºC
MSDS N/A Flash Point 213.5ºC

 Names

Name 7-Nitro-2H-1,4-benzoxazin-3(4H)-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.474g/cm3
Boiling Point 429.4ºC at 760 mmHg
Melting Point 232-234ºC
Molecular Formula C8H6N2O4
Molecular Weight 194.14400
Flash Point 213.5ºC
Exact Mass 194.03300
PSA 84.15000
LogP 1.58690
Index of Refraction 1.606

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
7-Nitro-2h-1,4-benzoxazin-3(4h)-one
Product Name:
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
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405:Store locked up

Section3. Composition/information on ingredients.
7-Nitro-2h-1,4-benzoxazin-3(4h)-one
Ingredient name:
CAS number:81721-86-0

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.

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:C8H6N2O4
Molecular weight:194.1

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

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

 Safety Information

Risk Phrases R20/21/22
Safety Phrases 26-36/37/39
HS Code 2934999090

 Synthetic Route

~99%

7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE Structure

7-NITRO-2H-BENZ...

CAS#:81721-86-0

Literature: Lee, Jeewoo; Tran, Phuong-Thao; Hoang, Van-Hai; Thorat, Shivaji A.; Kim, Sung Eun; Ann, Jihyae; Chang, Yu Jin; Nam, Dong Woo; Song, Hyundong; Mook-Jung, Inhee; Lee, Jiyoun Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 13 p. 3821 - 3830

~82%

7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE Structure

7-NITRO-2H-BENZ...

CAS#:81721-86-0

Literature: Shridhar; Gandhi Rao Synthesis, 1982 , vol. No. 11, p. 986 - 987

~91%

7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE Structure

7-NITRO-2H-BENZ...

CAS#:81721-86-0

Literature: PHARMACIA and UPJOHN COMPANY LLC Patent: WO2005/82897 A1, 2005 ; Location in patent: Page/Page column 29 ;

~87%

7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE Structure

7-NITRO-2H-BENZ...

CAS#:81721-86-0

Literature: Clairol Incorporated Patent: US5055110 A1, 1991 ;

~%

7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE Structure

7-NITRO-2H-BENZ...

CAS#:81721-86-0

Literature: Journal of the Chemical Society, , p. 3048

~61%

7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE Structure

7-NITRO-2H-BENZ...

CAS#:81721-86-0

Literature: Hanson, James R.; Richards, Lisa; Rozas, Panteleimon Journal of Chemical Research, Miniprint, 2003 , # 11 p. 1120 - 1128

~%

7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE Structure

7-NITRO-2H-BENZ...

CAS#:81721-86-0

Literature: US2724722 , ; DE924694 , ;

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

7-nitro-4H-1,4-benzoxazin-3-one
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