ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE

Modify Date: 2025-08-21 17:38:07

ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE Structure
ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE structure
Common Name ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE
CAS Number 344-72-9 Molecular Weight 240.203
Density 1.5±0.1 g/cm3 Boiling Point 329.7±42.0 °C at 760 mmHg
Molecular Formula C7H7F3N2O2S Melting Point 170 °C
MSDS N/A Flash Point 153.2±27.9 °C

 Names

Name ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 329.7±42.0 °C at 760 mmHg
Melting Point 170 °C
Molecular Formula C7H7F3N2O2S
Molecular Weight 240.203
Flash Point 153.2±27.9 °C
Exact Mass 240.018036
PSA 93.45000
LogP 1.86
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.508
InChIKey XJRPTMORGOIMMI-UHFFFAOYSA-N
SMILES CCOC(=O)c1sc(N)nc1C(F)(F)F

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate
Synonyms:

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

Section3. Composition/information on ingredients.
Ingredient name:Ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate
CAS number:344-72-9

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:C7H7F3N2O2S
Molecular weight:240.2

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, sulfur 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

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ3675000
CHEMICAL NAME :
5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
CAS REGISTRY NUMBER :
344-72-9
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H7-F3-N2-O2-S
MOLECULAR WEIGHT :
240.22
WISWESSER LINE NOTATION :
T5N CSJ BZ DMVO2 EXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,142,1954

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2934100090

 Synthetic Route

~85%

ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE Structure

ETHYL 2-AMINO-4...

CAS#:344-72-9

Literature: SCHERING CORPORATION; TING, Pauline, C.; ASLANIAN, Robert, G.; CAPLEN, Mary Ann; CAO, Jianhua; KIM, David, Won-Shik; KIM, Hyunjin; KUANG, Rongze; LEE, Joe, F.; SCHWERDT, John, H.; WU, Heping; ZHOU, Gang; ZORN, Nicolas Patent: WO2010/59606 A2, 2010 ; Location in patent: Page/Page column 169 ;

~83%

ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE Structure

ETHYL 2-AMINO-4...

CAS#:344-72-9

Literature: Ting, Pauline C.; Aslanian, Robert; Caplen, Mary Ann; Cao, Jianhua; Chan, Tin-Yau; Kim, David; Kim, Hyunjin; Kim, Jae-Hun; Kuang, Rongze; Lee, Joe F.; Schwerdt, John; Wu, Heping; Zorn, Nicolas Patent: US2011/224137 A1, 2011 ; US 20110224137 A1

~99%

ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE Structure

ETHYL 2-AMINO-4...

CAS#:344-72-9

Literature: Park, Young Seok; Kim, Kyongtae Tetrahedron Letters, 1999 , vol. 40, # 35 p. 6439 - 6442

~%

ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE Structure

ETHYL 2-AMINO-4...

CAS#:344-72-9

Literature: Journal of Heterocyclic Chemistry, , vol. 22, p. 1621 - 1630

~%

ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE Structure

ETHYL 2-AMINO-4...

CAS#:344-72-9

Literature: Bioorganic and Medicinal Chemistry, , vol. 12, # 23 p. 6171 - 6182

~2%

ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE Structure

ETHYL 2-AMINO-4...

CAS#:344-72-9

Literature: Journal of Heterocyclic Chemistry, , vol. 28, # 4 p. 907 - 911

~49%

ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE Structure

ETHYL 2-AMINO-4...

CAS#:344-72-9

Literature: Tanaka, Kiyoshi; Nomura, Kazuto; Oda, Hitoshi; Yoshida, Shouhei; Mitsuhashi, Keiryo Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 4 p. 907 - 911

 Customs

HS Code 2934100090
Summary 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

 Bioassay

View more

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
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 Synonyms

WLN: T5N CSJ BZ DMVO2 EXFFF
Ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
Ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate
2-AMINO-4-TRIFLUOROMETHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
ethyl 4-trifluoromethyl-2-aminothiazole-5-carboxylate
ethyl 2-amino-4-trifluoromethyl-5-thiazolecarboxylate
MFCD00153147
2-AMINO-4-(TRIFLUOROMETHYL)-5-(CARBETHOXY)THIAZOLE, MIN.
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