1-Methyl-4-nitro-2-(trifluoromethyl)benzene

Modify Date: 2024-01-03 11:15:35

1-Methyl-4-nitro-2-(trifluoromethyl)benzene Structure
1-Methyl-4-nitro-2-(trifluoromethyl)benzene structure
Common Name 1-Methyl-4-nitro-2-(trifluoromethyl)benzene
CAS Number 89976-12-5 Molecular Weight 205.134
Density 1.4±0.1 g/cm3 Boiling Point 220.5±35.0 °C at 760 mmHg
Molecular Formula C8H6F3NO2 Melting Point 34-35 °C
MSDS N/A Flash Point 87.1±25.9 °C

 Names

Name 2-Methyl-5-nitrobenzotrifluoride
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 220.5±35.0 °C at 760 mmHg
Melting Point 34-35 °C
Molecular Formula C8H6F3NO2
Molecular Weight 205.134
Flash Point 87.1±25.9 °C
Exact Mass 205.035065
PSA 45.82000
LogP 3.08
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.476

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 2-Methyl-5-nitrobenzotrifluoride
Synonyms:

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

Section3. Composition/information on ingredients.
Ingredient name:2-Methyl-5-nitrobenzotrifluoride
CAS number:89976-12-5

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:C8H6F3NO2
Molecular weight:205.1

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
UN Number:UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (2-Methyl-5-nitrobenzotrifluoride)

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 R20/21/22
Safety Phrases 23-26-36/37/39
HS Code 2904909090

 Synthetic Route

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1-Methyl-4-nitro-2-(trifluoromethyl)benzene Structure

1-Methyl-4-nitr...

CAS#:89976-12-5

Literature: EP1840122 A1, ; Page/Page column 12-13 ;

~77%

1-Methyl-4-nitro-2-(trifluoromethyl)benzene Structure

1-Methyl-4-nitr...

CAS#:89976-12-5

Literature: Gray; Andrews; Hook; Kitteringham; Voyle Tetrahedron Letters, 2000 , vol. 41, # 32 p. 6237 - 6240

~77%

1-Methyl-4-nitro-2-(trifluoromethyl)benzene Structure

1-Methyl-4-nitr...

CAS#:89976-12-5

Literature: Gray; Andrews; Hook; Kitteringham; Voyle Tetrahedron Letters, 2000 , vol. 41, # 32 p. 6237 - 6240

~%

1-Methyl-4-nitro-2-(trifluoromethyl)benzene Structure

1-Methyl-4-nitr...

CAS#:89976-12-5

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 33, # 9 p. 3031 - 3035,2957 - 2960

~%

1-Methyl-4-nitro-2-(trifluoromethyl)benzene Structure

1-Methyl-4-nitr...

CAS#:89976-12-5

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 33, # 9 p. 3031 - 3035,2957 - 2960

~%

1-Methyl-4-nitro-2-(trifluoromethyl)benzene Structure

1-Methyl-4-nitr...

CAS#:89976-12-5

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 33, # 9 p. 3031 - 3035,2957 - 2960

~%

1-Methyl-4-nitro-2-(trifluoromethyl)benzene Structure

1-Methyl-4-nitr...

CAS#:89976-12-5

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 33, # 9 p. 3031 - 3035,2957 - 2960

~%

1-Methyl-4-nitro-2-(trifluoromethyl)benzene Structure

1-Methyl-4-nitr...

CAS#:89976-12-5

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 33, # 9 p. 3031 - 3035,2957 - 2960

 Customs

HS Code 2904909090
Summary HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Synonyms

1-Methyl-4-nitro-2-(trifluoromethyl)benzene
Benzene, 1-methyl-4-nitro-2-(trifluoromethyl)-
MFCD01631684
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