Ethyl 2,2-difluoro-2-(pyridin-4-yl)acetate
Basic information
- CAS
1255305-76-0- Standard SMILES
CCOC(=O)C(F)(F)c1ccncc1- InChIKey
VINDOYOWWFMYAK-UHFFFAOYSA-N- Molecular formula
- C9H9F2NO2
- Average molar mass
- 201.17 g/mol
- Monoisotopic mass
- 201.06013485
Names & identifiers
- Preferred name
- Ethyl 2,2-difluoro-2-(pyridin-4-yl)acetate
- IUPAC
- ethyl 2,2-difluoro-2-pyridin-4-ylacetate
- English name
- Difluoro-pyridin-4-yl-acetic acid ethyl ester
- Molecular formula
- C9H9F2NO2
- Molecular weight
- 201.17
Names & synonyms
ethyl 2,2-difluoro-2-(pyridin-4-yl)acetate1255305-76-0RefChem:593416824-682-1ethyl 2,2-difluoro-2-pyridin-4-ylacetateethyl pyridin-4-yl-difluoroacetateSCHEMBL743698FAC30576AKOS012991044ethyl2,2-difluoro-2-(pyridin-4-yl)acetateEN300-124861Ethyl α,α-difluoro-4-pyridineacetate
Show more names
Difluoro-pyridin-4-yl-acetic acid ethyl ester4-Pyridineacetic acid, α,α-difluoro-, ethyl ester
Database identifiers
- CAS
1255305-76-0- PubChem CID
- 59633981
- EC Number
- 824-682-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
1 records
Compound notes
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