Basic information
- CAS
150698-72-9- Standard SMILES
O=C(c1ccc(Cl)nc1)C(F)(F)F- InChIKey
SYPJJBWXFXEFFO-UHFFFAOYSA-N- Molecular formula
- C7H3ClF3NO
- Average molar mass
- 209.55 g/mol
- Monoisotopic mass
- 208.98552606
Names & identifiers
- Preferred name
- 1-(6-Chloropyridin-3-yl)-2,2,2-trifluoroethanone
- IUPAC
- 1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanone
- English name
- Ethanone, 1-(6-chloro-3-pyridinyl)-2,2,2-trifluoro- (9CI)
- Molecular formula
- C7H3ClF3NO
- Molecular weight
- 209.55
Names & synonyms
150698-72-91-(6-chloropyridin-3-yl)-2,2,2-trifluoroethanoneEthanone, 1-(6-chloro-3-pyridinyl)-2,2,2-trifluoro- (9CI)MFCD131731321-(6-CHLOROPYRIDIN-3-YL)-2,2,2-TRIFLUOROETHAN-1-ONEETHANONE, 1-(6-CHLORO-3-PYRIDINYL)-2,2,2-TRIFLUORO-1-(6-CHLORO-3-PYRIDINYL)-2,2,2-TRIFLUORO-ETHANONESCHEMBL8848435DTXSID606015722-Chloro-5-trifluoroacetylpyridineAKOS016014705AB66548
Show more names
DB-276166CS-0308667EN300-1268586F7185871-(6-chloro-3-pyridyl)-2,2,2-trifluoro-ethanoneZ12692141641-(6-Chloropyridin-3-yl)-2,2,2-trifluoroethanone hydrate
Database identifiers
- CAS
150698-72-9- PubChem CID
- 19971583
- DTXSID
DTXSID60601572
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 255.5 · 255.5±35.0℃ (760 Torr)
- Density
- 1.47 · 1.470±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 108.3 · 108.3±25.9℃
- storage temp.
- 2 · 2-8°C
- pka
- -3.84 · -3.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312-H315-H412
- Precautionary statements
- 280 · P280
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312-H315-H412
- Precautionary statements
- P280
Chemistry & industry
Suppliers23 total
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
联化昂健医药科技（上海）有限公司18918657159 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
17 records
Compound notes
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