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1-(2,6-Difluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid

HCID 17823352
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Basic information

CAS
304859-20-9
Standard SMILES
O=C(O)C1CC(=O)N(Cc2c(F)cccc2F)C1
InChIKey
LMXMCRSCDJNUNL-UHFFFAOYSA-N
Molecular formula
C12H11F2NO3
Average molar mass
255.22 g/mol

Names & identifiers

Preferred name
1-(2,6-Difluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid
English name
1-(2,6-Difluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid
Molecular formula
C12H11F2NO3
Molecular weight
255.22

Names & synonyms

(TOSYLCARBAMOYL)GLYCINE1-(2,6-Difluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid1-(2,6-Difluorobenzyl)-5-oxo-3-pyrrolidinecarboxylic acid3-Pyrrolidinecarboxylic acid, 1-[(2,6-difluorophenyl)methyl]-5-oxo-

Database identifiers

CAS
304859-20-9
PubChem CID
17823352
EC Number
842-497-4

Properties

Physicochemical properties

form
powder
InChI
1S/C12H11F2NO3/c13-9-2-1-3-10(14)8(9)6-15-5-7(12(17)18)4-11(15)16/h1-3,7H,4-6H2,(H,17,18)
InChIKey
LMXMCRSCDJNUNL-UHFFFAOYSA-N
SMILES
FC1=CC=CC(F)=C1CN2CC(C(O)=O)CC2=O
UNSPSC Code
12352101 · 12352101
Symbol(GHS)
6 · GHS06,GHS09
Signal word
Danger
Hazard statements
310 · H310-H317-H319-H410
Precautionary statements
261 · P261-P262-P273-P280-P302+P352+P310-P391
WGK Germany
3 · WGK 3
Storage Class
11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk
WGK 3
Signal word
Danger
Symbol(GHS)
GHS06,GHS09
Storage Class
11 - Combustible Solids
Hazard statements
H310-H317-H319-H410
Precautionary statements
P261-P262-P273-P280-P302+P352+P310-P391

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2,6-DifluorobenzylamineItaconic acid

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes