Ethyl {[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate

Modify Date: 2026-07-03 19:06:26

Ethyl {[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate Structure
Ethyl {[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate structure
Common Name Ethyl {[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate
CAS Number 735-40-0 Molecular Weight 292.21100
Density 1.409g/cm3 Boiling Point 341.3ºC at 760 mmHg
Molecular Formula C11H11F3N2O4 Melting Point N/A
MSDS N/A Flash Point 160.2ºC

Summary: Chinese name: 2-(2-硝基-4-三氟甲基苯基氨基)乙酸乙酯, English name: ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate, CAS number: 735-40-0, molecular formula: C11H11F3N2O4. For research-use only, not for medical or clinical usage.


 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.409g/cm3
Boiling Point 341.3ºC at 760 mmHg
Molecular Formula C11H11F3N2O4
Molecular Weight 292.21100
Flash Point 160.2ºC
Exact Mass 292.06700
PSA 84.15000
LogP 3.18480
Index of Refraction 1.52
InChIKey IPKGNONFSPKCGM-UHFFFAOYSA-N
SMILES CCOC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Ethyl 2-(2-nitro-4-trifluoromethylphenylamino)acetate
Synonyms:

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

Section3. Composition/information on ingredients.
Ingredient name:Ethyl 2-(2-nitro-4-trifluoromethylphenylamino)acetate
CAS number:735-40-0

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.
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:C11H11F3N2O4
Molecular weight:292.2

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi
HS Code 2922499990

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~76%

Ethyl {[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate Structure

Ethyl {[2-nitro...

CAS#:735-40-0

Learn More
Literature: Xu, Bailing; Sun, Yan; Guo, Ying; Cao, Yingli; Yu, Tao Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 7 p. 2767 - 2774

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  2

DownStream  1

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2-Nitro-4-trifluormethyl-phenylglycin-aethylester

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the English name of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate?
A: The English name of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate is ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate.
Q: What is the polar surface area (PSA) of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate?
A: Polar surface area (PSA) of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate is 84.15000.
Q: What is the SMILES notation of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate?
A: SMILES notation of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate is CCOC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
Q: What is the LogP of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate?
A: LogP of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate is 3.18480.
Q: What is the molecular weight of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate?
A: Molecular weight of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate is 292.21100.
Q: What is the molecular formula of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate?
A: Molecular formula of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate is C11H11F3N2O4.
Q: What are the upstream materials of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate?
A: Related upstream materials(CAS) of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate: 623-33-6;121-17-5.
Q: What are the downstream products of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate?
A: Related downstream products(CAS) of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate: 716-81-4.
Q: What is the CAS number of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate?
A: CAS number of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate is 735-40-0.
Q: What is the InChIKey of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate?
A: InChIKey of ethyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate is IPKGNONFSPKCGM-UHFFFAOYSA-N.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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