4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester

HCID 2737210

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 175277-03-9
Standard SMILES: CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIKey: LPIXRQSYBTUXOQ-UHFFFAOYSA-N
Molecular formula: C14H12F3NO2S
Average molar mass: 315.31 g/mol
Monoisotopic mass: 315.05408428

Names & identifiers

Preferred name: 4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester
IUPAC: ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
English name: Ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
Molecular formula: C14H12F3NO2S
Molecular weight: 315.31

Names & synonyms

4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl esterRefChem:525066671-921-9175277-03-9ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylateethyl 4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylateethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylateMFCD000681044-Methyl-2-(4-trifluoromethylphenyl)thiazole-5-carboxylic Acid Ethyl Ester5-thiazolecarboxylic acid, 4-methyl-2-[4-(trifluoromethyl)phenyl]-, ethyl esterEthyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-thiazole-5-carboxylateF11451

Show more names

BUTTPARK 43\57-60Ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-5-Thiazolecarboxylicacid,4-Methyl-2-[4-(TrifluEthylmethyltrifluoromethylphenylthiazolecarboxylateEthyl 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carbo...Ethyl 2-[4-(trifluoromethyl)phenyl]-4-methyl thiazole-5-carboxylateEthyl4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate97%Ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate 97%

1W-0211Ethyl 4-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate;ethyl 4-methyl-2-(4-(trifluoromethyl)phenyl)-1,3-thiazole-5-carboxylateAMY1625A3887SCHEMBL2886858DTXSID10371915ethyl4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylate

Database identifiers

CAS: 175277-03-9
PubChem CID: 2737210
DTXSID: DTXSID10371915
EC Number: 671-921-9
Nikkaji: J2.566.164H

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 370

Physicochemical properties

Melting point: 87 °C · 87 °C
Boiling point: 374.6 · 374.6±52.0 °C(Predicted)
Density: 1.305 · 1.305±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 0.48 · 0.48±0.10(Predicted)
color: Light Grey
Sensitive: Stench
InChI: InChI=1S/C14H12F3NO2S/c1-3-20-13(19)11-8(2)18-12(21-11)9-4-6-10(7-5-9)14(15,16)17/h4-7H,3H2,1-2H3
InChIKey: LPIXRQSYBTUXOQ-UHFFFAOYSA-N
SMILES: S1C(C(OCC)=O)=C(C)N=C1C1=CC=C(C(F)(F)F)C=C1
CAS DataBase Reference: 175277 · 175277-03-9(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 20 · 20/21/22-41-22
Safety Statements: 22 · 22-36/37/39-24/25-39-26
WGK Germany: 3 · WGK 3
Hazard Note: Irritant/Stench
HS Code: 2934100090 · 2934100090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: WGK 3
hs_code: 2934100090
risk_code: 20/21/22-41-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
hazard_note: Irritant/Stench
safety_code: 22-36/37/39-24/25-39-26
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H318
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

UsesIntermediate in the production of GW 501516 and its derivatives

Upstream & downstream products

Downstream products

(4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)METHANOL

Suppliers78 total

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

上海药森生物科技有限公司18916117619 18916117619

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

15 records

New reaction record

HRID 270140As reactantuspto-grants-2008_11

HRID 287702As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 319085As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 460013As reactantuspto-grants-2007_03

HRID 490699As reactantuspto-grants-2009_05

HRID 642286As reactantuspto-grants-2010_04

HRID 686600As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 687278As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

Loading…