Basic information
- CAS
172527-71-8- Standard SMILES
CCOC(=O)C(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl- InChIKey
VRPNAVYQHJYROG-UHFFFAOYSA-N- Molecular formula
- C13H13ClF3NO4
- Average molar mass
- 339.69 g/mol
- Monoisotopic mass
- 339.04852024
Names & identifiers
- Preferred name
- Diethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate
- IUPAC
- diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate
- English name
- Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate
- Molecular formula
- C13H13ClF3NO4
- Molecular weight
- 339.69
Names & synonyms
172527-71-8Diethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonatediethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonatediethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonateMFCD00231883diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioateC13H13ClF3NO41,3-diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioateSCHEMBL5211782SCHEMBL29649689DTXSID60378858Diethyl2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate
Show more names
Diethyl2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate97%Propanedioic acid, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-, 1,3-diethyl esterDiethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propane-1,3-dioate, 3-Chloro-2-(1,3-diethoxy-1,3-dioxoprop-2-yl)-5-(trifluoromethyl)pyridine
AKOS005071291DB-360241CS-03151119F-009F010076diethyl 2-(3-chloro-5-trifluoromethyl-2-pyridyl)malonateDiethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridin-yl]malonateDiethyl [3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 43 · 43-45
- Boiling point
- 120 · 120-124/0.5mm
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.3 · 8.30±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- Hazard Note
- Irritant
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Irritant
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
3 records
Compound notes
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