1-(4-Bromophenyl)-2-oxo-3-pyrrolidinecarboxylic acid
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Basic information
- CAS
226881-07-8- Standard SMILES
O=C(O)C1CCN(c2ccc(Br)cc2)C1=O- InChIKey
PHJMARYQKJGPKG-UHFFFAOYSA-N- Molecular formula
- C11H10BrNO3
- Average molar mass
- 284.11 g/mol
- Monoisotopic mass
- 282.98440528
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-2-oxo-3-pyrrolidinecarboxylic acid
- IUPAC
- 1-(4-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid
- English name
- 1-(4-Bromophenyl)-2-oxopyrrolidine-3-carboxylic acid
- Molecular formula
- C11H10BrNO3
- Molecular weight
- 284.11
Names & synonyms
226881-07-81-(4-BROMOPHENYL)-2-OXO-3-PYRROLIDINECARBOXYLIC ACIDRefChem:424973632-177-01-(4-bromophenyl)-2-oxopyrrolidine-3-carboxylic acidMFCD039328751-(4-bromophenyl)-2-oxo-pyrrolidine-3-carboxylic AcidSCHEMBL6936690DTXSID10394023PHJMARYQKJGPKG-UHFFFAOYSA-NAKOS000164330AKOS022203222
Show more names
3-Pyrrolidinecarboxylic acid, 1-(4-broMophenyl)-2-oxo-JR-6454, 1-(4-Bromophenyl)-2-oxopyrrolidine-3-carboxylic acid, 97%
WS-01137DB-002323CS-03335411-(4-bromophenyl)-3-carboxy-2-pyrrolidinoneD85583EN300-230639681-(4-bromophenyl)-2-oxopyrrolidine-3-carboxylicacidZ285922004
Database identifiers
- CAS
226881-07-8- PubChem CID
- 3598523
- DTXSID
DTXSID10394023- EC Number
- 632-177-0
- Nikkaji
- J2.138.085G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335-H301
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H319-H335-H301
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
2 records
Compound notes
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