Basic information
- CAS
175204-82-7- Standard SMILES
COC(=O)c1cnccc1C(F)(F)F- InChIKey
RFUABQNZKSSKRX-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO2
- Average molar mass
- 205.13 g/mol
- Monoisotopic mass
- 205.03506309
Overview
Methyl 4-(trifluoromethyl)nicotinate is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- Methyl 4-(trifluoromethyl)nicotinate
- IUPAC
- methyl 4-(trifluoromethyl)pyridine-3-carboxylate
- English name
- Methyl 4-(trifluoromethyl)nicotinate
- Molecular formula
- C8H6F3NO2
- Molecular weight
- 205.13
Names & synonyms
methyl 4-(trifluoromethyl)nicotinate175204-82-7DTXSID70379654RefChem:355504DTXCID30330680807-916-7methyl 4-(trifluoromethyl)pyridine-3-carboxylateMFCD001015684-Trifluoromethyl-nicotinic acid methyl ester3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-, methyl esterMethyl4-(trifluoromethyl)nicotinateMethyl 4-(trifluoromethyl)
Show more names
Methyl4-(trifluoromethyl)nicotinate97%Methyl 4-(trifluoromethyl)nicotinate?NewMethyl 4-(trifluoromethyl)nicotinate 97%METHYL 4-(TRIFLUOROMETHYL)NICOTINATE ISO 9001：2015 REACHmethyl 4-(trifluoromethyl)pyridine-3-carboxylate - [M83636]3-Pyridinecarboxylic acid,4-(trifluoromethyl)-,methyl ester
orb3031007SCHEMBL3093031SCHEMBL16448180methyl 4-trifluoromethylnicotinateBUTTPARK 43\57-44CHEBI:194892Fr13044SBB093429
Database identifiers
- CAS
175204-82-7- PubChem CID
- 2775680
- DTXSID
DTXSID70379654- ChEBI
CHEBI:194892- EC Number
- 807-916-7
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 100 °C · 100°C 15mm
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 0.84 · 0.84±0.18(Predicted)
- Appearance
- Light yellow to light brown Liquid
- CAS DataBase Reference
- 175204 · 175204-82-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-37/39
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 4-(trifluoromethyl)pyridine-3-carboxylate can be used to treat hyperproliferative disorders.
Suppliers86 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
石家庄琪跃化工有限公司15369111890 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海郎威化学科技有限公司21-67639201 13601755340 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
南京麦瑞米生物技术有限公司025-87782433 18021532344 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
湖北诺纳科技有限公司59209883 17386169806 · [email protected]
Additional notes
DefinitionChEBI: Methyl 4-(trifluoromethyl)nicotinate is an aromatic carboxylic acid and a member of pyridines.
Related reactions
15 records
Compound notes
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