3-(2-Oxoimidazolidin-1-yl)benzoic acid
Basic information
- CAS
884504-86-3- Standard SMILES
O=C(O)c1cccc(N2CCNC2=O)c1- InChIKey
REVYTXLGZSYHEG-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.06914219
Names & identifiers
- Preferred name
- 3-(2-Oxoimidazolidin-1-yl)benzoic acid
- IUPAC
- 3-(2-oxoimidazolidin-1-yl)benzoic acid
- English name
- 3-(2-Oxo-imidazolidin-1-yl)-benzoic acid
- Molecular formula
- C10H10N2O3
- Molecular weight
- 206.2
Names & synonyms
3-(2-oxoimidazolidin-1-yl)benzoic acid884504-86-3DTXSID206493143-(2-OXO-1-IMIDAZOLIDINYL)BENZOIC ACIDRefChem:491290DTXCID00600064874-109-4MFCD058645673-(2-oxo-imidazolidin-1-yl)benzoic acidBENZOIC ACID, 3-(2-OXO-1-IMIDAZOLIDINYL)-3-(2-OXO-IMIDAZOLIDIN-1-YL)-BENZOIC ACIDSCHEMBL12169427
Show more names
CHEMBRDG-BB 44002753-(2-oxoimidazoline-1-yl)benzoic acid3-(2-Oxo-1H-imidazoline-1-yl)-benzoic acid3-(2-oxoimidazolidin-1-yl)benzoic acid(SALTDATA: FREE)
SCHEMBL30422164ALBB-009368AKOS0051723293-(2-oxoimidazolidin-1-yl)benzoicacidAS-8263FO51043SY229677DB-027948
Database identifiers
- CAS
884504-86-3- PubChem CID
- 25220577
- DTXSID
DTXSID20649314- EC Number
- 874-109-4
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- pka
- 4.23 · 4.23±0.10(Predicted)
- form
- solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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