Basic information
- CAS
76945-40-9- Standard SMILES
CC(=O)N1CC=CC1C(=O)O- InChIKey
VBHKUSGNBBQVID-UHFFFAOYSA-N- Molecular formula
- C7H9NO3
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.05824315
Names & identifiers
- Preferred name
- 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
- IUPAC
- 1-acetyl-2,5-dihydropyrrole-2-carboxylic acid
- English name
- 1H-Pyrrole-2-carboxylic acid, 1-acetyl-2,5-dihydro- (9CI)
- Molecular formula
- C7H9NO3
- Molecular weight
- 155.15126
Names & synonyms
76945-40-91-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acidDTXSID00338471RefChem:428974DTXCID60289556862-599-21-acetyl-2,5-dihydropyrrole-2-carboxylic acidN-Acetyl-3,4-dehydroprolineSCHEMBL2471111H-Pyrrole-2-carboxylicacid, 1-acetyl-2,5-dihydro-VBHKUSGNBBQVID-UHFFFAOYSA-NEN300-6771279
Show more names
1H-Pyrrole-2-carboxylic acid, 1-acetyl-2,5-dihydro- (9CI)
1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylicacid1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid #
Database identifiers
- CAS
76945-40-9- PubChem CID
- 549281
- DTXSID
DTXSID00338471- EC Number
- 862-599-2
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic Acid is used in preparation of Aminophenylnicotinic Acid.
Suppliers3 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…