Basic information
- CAS
34569-29-4- Standard SMILES
O=C1C=CC(=O)N1Cc1ccc(Cl)cc1- InChIKey
BPKNINBFRMHMQY-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO2
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.0243562
Names & identifiers
- Preferred name
- 1-[(4-chlorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione
- IUPAC
- 1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione
- English name
- 1-((4-Chlorophenyl)methyl)-1H-pyrrole-2,5-dione
- Molecular formula
- C11H8ClNO2
- Molecular weight
- 221.64
Names & synonyms
1-[(4-chlorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione1-((4-chlorophenyl)methyl)-2,5-dihydro-1H-pyrrole-2,5-dioneRefChem:418630881-796-434569-29-41-((4-chlorophenyl)methyl)-1h-pyrrole-2,5-dione1-(4-Chlorobenzyl)-1H-pyrrole-2,5-dione1-[(4-chlorophenyl)methyl]pyrrole-2,5-dioneMFCD039668921H-Pyrrole-2,5-dione, 1-[(4-chlorophenyl)methyl]-1-(4-Chloro-benzyl)-pyrrole-2,5-dione1-[(4-Chlorophenyl)methyl]-1H-pyrrole-2,5-dione
Show more names
1-(4-chlorobenzyl)-3-pyrroline-2,5-quinone
Enamine_005189AKOS MSC-0063SCHEMBL7218376CHEMBL4584677DTXSID00368435HMS1408L19ALBB-027889AKOS000116723
Database identifiers
- CAS
34569-29-4- PubChem CID
- 2392334
- DTXSID
DTXSID00368435- ChEMBL
CHEMBL4584677
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 79 · 79-81 °C
- Boiling point
- 369.4 · 369.4±25.0 °C(Predicted)
- Density
- 1.417 · 1.417±0.06 g/cm3(Predicted)
- pka
- -2.38 · -2.38±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302
- 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
- H319-H315-H335-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
浙江皓格药业有限公司0573-88133976-8014 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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