Basic information
- CAS
10264-75-2- Standard SMILES
O=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O- InChIKey
IXBWSNDGYRTQSF-UHFFFAOYSA-N- Molecular formula
- C12H10N2O6
- Average molar mass
- 278.22 g/mol
- Monoisotopic mass
- 278.05388604
Names & identifiers
- Preferred name
- 4-(4-Nitro-1,3-dioxoisoindol-2-yl)butanoic acid
- IUPAC
- 4-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid
- English name
- 4-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid
- Molecular formula
- C12H10N2O6
- Molecular weight
- 278.22
Names & synonyms
10264-75-24-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid4-(4-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyric acid4-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid4-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}butanoic acidOprea1_124558SCHEMBL4235297IXBWSNDGYRTQSF-UHFFFAOYSA-NSTK5326104-(4-NITRO-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)BUTANOIC ACIDAKOS000159387
Show more names
2H-Isoindole-2-butanoic acid, 1,3-dihydro-4-nitro-1,3-dioxo-
3-nitro-N-(3-carboxypropyl)phthalimideAB00685272-01AH-034/04487061SR-01000078172SR-01000078172-1Z56938142F0827-0212
Database identifiers
- CAS
10264-75-2- PubChem CID
- 765472
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Melting point
- 134 · 134.0-134.5 °C
- Boiling point
- 536.3 · 536.3±35.0 °C(Predicted)
- Density
- 1.548 · 1.548±0.06 g/cm3(Predicted)
- pka
- 4.61 · 4.61±0.10(Predicted)
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]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P391, 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. 3 (100%)
Chemistry & industry
Suppliers6 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
VITAS-BB—
IFLAB-BB[email protected]
Related reactions
3 records
Compound notes
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