Basic information
- CAS
1409431-63-5- Standard SMILES
CN1C(=O)CC(C(=O)O)C1c1ccc(Cl)c(F)c1- InChIKey
GQIGTTZARNEUHS-UHFFFAOYSA-N- Molecular formula
- C12H11ClFNO3
- Average molar mass
- 271.67 g/mol
- Monoisotopic mass
- 271.0411491
Names & identifiers
- Preferred name
- 2-(4-Chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
- English name
- 2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
- Molecular formula
- C12H11ClFNO3
- Molecular weight
- 271.67
Names & synonyms
2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid1409431-63-5RefChem:457215978-109-6JGC43163AKOS013382190CS-0224405EN300-119239Z11884451112-(4-chloro-3-fluoro-phenyl)-1-methyl-5-oxo-pyrrolidine-3-carboxylic acid2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylicacid3-Pyrrolidinecarboxylic acid, 2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxo-
Database identifiers
- CAS
1409431-63-5- PubChem CID
- 64065321
- EC Number
- 978-109-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 470.3 · 470.3±45.0 °C(Predicted)
- Density
- 1.438 · 1.438±0.06 g/cm3(Predicted)
- pka
- 4.11 · 4.11±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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