Basic information
- CAS
186384-46-3- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O- InChIKey
LNWAYWWOYHEHJX-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4
- Average molar mass
- 268.22 g/mol
- Monoisotopic mass
- 268.04840674
Names & identifiers
- Preferred name
- 1,3-Dioxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid
- IUPAC
- 1,3-dioxo-2-pyridin-2-ylisoindole-5-carboxylic acid
- English name
- CHEMBRDG-BB 5186394
- Molecular formula
- C14H8N2O4
- Molecular weight
- 268.22
Names & synonyms
186384-46-31,3-dioxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acidDTXSID80353662RefChem:218875DTXCID303047251,3-dioxo-2-pyridin-2-ylisoindoline-5-carboxylic acid1,3-dioxo-2-(pyridin-2-yl)isoindoline-5-carboxylic acid1,3-dioxo-2-pyridin-2-ylisoindole-5-carboxylic acidMFCD00427537Oprea1_283316Oprea1_463632CBDivE_005510
Show more names
BAS 00132929STOCK1S-94465CHEMBRDG-BB 51863941,3-dioxo-2-pyridin-2-yl-isoindole-5-carboxylic acid1,3-dioxo-2-(2-pyridyl)isoindoline-5-carboxylic acid
SCHEMBL15043809HMS1648C22ALBB-006628STK501167AKOS000265509SB64702DA-08898LS-02349
Database identifiers
- CAS
186384-46-3- PubChem CID
- 747682
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 557.6 · 557.6±56.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.28 · 3.28±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [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
Loading…