Methyl 3-fluoro-4-nitrobenzoate

Modify Date: 2024-01-02 13:09:02

Methyl 3-fluoro-4-nitrobenzoate Structure
Methyl 3-fluoro-4-nitrobenzoate structure
Common Name Methyl 3-fluoro-4-nitrobenzoate
CAS Number 185629-31-6 Molecular Weight 199.136
Density 1.4±0.1 g/cm3 Boiling Point 314.6±32.0 °C at 760 mmHg
Molecular Formula C8H6FNO4 Melting Point 59-61ºC
MSDS USA Flash Point 144.1±25.1 °C

 Names

Name methyl 3-fluoro-4-nitrobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 314.6±32.0 °C at 760 mmHg
Melting Point 59-61ºC
Molecular Formula C8H6FNO4
Molecular Weight 199.136
Flash Point 144.1±25.1 °C
Exact Mass 199.028091
PSA 72.12000
LogP 1.74
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.534

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Methyl 3-fluoro-4-nitrobenzoate
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.
Methyl 3-fluoro-4-nitrobenzoate
Ingredient name:
CAS number:185629-31-6

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:C8H6FNO4
Molecular weight:199.1

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

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases 22
HS Code 2916399090

 Synthetic Route

~99%

Methyl 3-fluoro-4-nitrobenzoate Structure

Methyl 3-fluoro...

CAS#:185629-31-6

Literature: Saitoh, Morihisa; Kunitomo, Jun; Kimura, Eiji; Hayase, Yoji; Kobayashi, Hiromi; Uchiyama, Noriko; Kawamoto, Tomohiro; Tanaka, Toshimasa; Mol, Clifford D.; Dougan, Douglas R.; Textor, Garret S.; Snell, Gyorgy P.; Itoh, Fumio Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 5 p. 2017 - 2029

~95%

Methyl 3-fluoro-4-nitrobenzoate Structure

Methyl 3-fluoro...

CAS#:185629-31-6

Literature: Lackey, John William; Kinder, Daniel S.; Tvermoes, Nicolai A. Patent: US2003/119754 A1, 2003 ;

~%

Methyl 3-fluoro-4-nitrobenzoate Structure

Methyl 3-fluoro...

CAS#:185629-31-6

Literature: WO2008/17883 A2, ; Page/Page column 46-47 ; WO 2008/017883 A2

~99%

Methyl 3-fluoro-4-nitrobenzoate Structure

Methyl 3-fluoro...

CAS#:185629-31-6

Literature: DEVELOGEN AKTIENGESELLSCHAFT Patent: WO2006/136402 A1, 2006 ; Location in patent: Page/Page column 119 ; WO 2006/136402 A1

~%

Methyl 3-fluoro-4-nitrobenzoate Structure

Methyl 3-fluoro...

CAS#:185629-31-6

Literature: US5624957 A1, ; US 5624957 A

~%

Methyl 3-fluoro-4-nitrobenzoate Structure

Methyl 3-fluoro...

CAS#:185629-31-6

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 4 p. 1043 - 1046

~%

Methyl 3-fluoro-4-nitrobenzoate Structure

Methyl 3-fluoro...

CAS#:185629-31-6

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 16 p. 4464 - 4470

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-Fluoro-4-nitrobenzoic acid methyl ester
Methyl 3-fluoro-4-nitrobenzoate
WNR BF DVO1
MFCD08444027
Benzoic acid, 3-fluoro-4-nitro-, methyl ester
Methyl 3-Fluoro-4-nitrobenzenecarboxylate
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