Basic information
- CAS
205582-88-3- Standard SMILES
COC(=O)c1ccc(C(F)(F)F)nc1C- InChIKey
NEBSPXCPFDLIHP-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO2
- Average molar mass
- 219.16 g/mol
- Monoisotopic mass
- 219.05071316
Names & identifiers
- Preferred name
- Methyl 2-methyl-6-(trifluoromethyl)nicotinate
- IUPAC
- methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
- English name
- METHYL 2-METHYL-6-(TRIFLUOROMETHYL)NICOTINATE
- Molecular formula
- C9H8F3NO2
- Molecular weight
- 219.16
Names & synonyms
Methyl 2-methyl-6-(trifluoromethyl)nicotinate205582-88-3DTXSID50381437RefChem:1089344DTXCID30332462methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylateMFCD013119893-Pyridinecarboxylic acid, 2-methyl-6-(trifluoromethyl)-, methyl ester2-METHYL-6-TRIFLUOROMETHYL-NICOTINIC ACID METHYL ESTER3-(Ethoxycarbonyl)-2-methyl-6-(trifluoromethyl)pyridineSCHEMBL4195184SBB095742
Show more names
Methyl 2-methyl-6-(trifluoromethyl)-3-pyridinecarboxylate
AKOS016013040AB08481AT28792PS-6500SY229198methyl 2-methyl-6-trifluoromethyinicotinatemethyl 2-methyl-6-trifluoromethylnicotinateCS-0315060
Database identifiers
- CAS
205582-88-3- PubChem CID
- 2779428
- DTXSID
DTXSID50381437- Nikkaji
- J929.136I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 209 · 209.0±40.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.78 · -0.78±0.22(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
阜新奥瑞凯精细化工有限公司（沈阳同元素）+86-024-83607930 18640359690 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
陕西莱特光电材料股份有限公司+86-17691239725 +86-15529797525 · [email protected]
南京一番化成生物科技有限公司025-025-52700520 18914499889
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
10 records
Compound notes
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