2-(2,5-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Basic information
- CAS
294861-48-6- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O- InChIKey
RPULTEWMPQHULS-UHFFFAOYSA-N- Molecular formula
- C15H7Cl2NO4
- Average molar mass
- 336.1 g/mol
- Monoisotopic mass
- 334.9752131
Names & identifiers
- Preferred name
- 2-(2,5-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
- IUPAC
- 2-(2,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
- English name
- 2-(2,5-DICHLOROPHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
- Molecular formula
- C15H7Cl2NO4
- Molecular weight
- 336.13
Names & synonyms
294861-48-62-(2,5-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acidRefChem:452045102-724-32-(2,5-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylic acid2-(2,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acidMFCD00406016F0722-09301H-isoindole-5-carboxylic acid, 2-(2,5-dichlorophenyl)-2,3-dihydro-1,3-dioxo-Oprea1_241090Oprea1_635483SMSSF-0531785
Show more names
BAS 00293782A0827/00387641H-isoindole-5-carboxylic acid, 2-(2,5-dichlorophenyl)-2,32-(2,5-dichlorophenyl)-1,3-dioxo-isoindole-5-carboxylic acid2-(2,5-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylic acid2-(2,5-dichlorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid
ALBB-010659STK267701AKOS000747937AT29810SB64836LS-03644CS-0215918ST50860483
Database identifiers
- CAS
294861-48-6- PubChem CID
- 690221
- EC Number
- 102-724-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Boiling point
- 581.2 · 581.2±60.0 °C(Predicted)
- Density
- 1.654 · 1.654±0.06 g/cm3(Predicted)
- 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
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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