Basic information
- CAS
67822-73-5- Standard SMILES
Cc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1- InChIKey
WHMUJAYJCCNHQI-UHFFFAOYSA-N- Molecular formula
- C16H11NO4
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.06880783
Names & identifiers
- Preferred name
- 1,3-Dioxo-2-m-tolyl-2,3-dihydro-1H-isoindole-5-carboxylic acid
- IUPAC
- 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
- English name
- 2-(3-METHYLPHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
- Molecular formula
- C16H11NO4
- Molecular weight
- 281.26
Names & synonyms
1,3-Dioxo-2-m-tolyl-2,3-dihydro-1H-isoindole-5-carboxylic acidRefChem:414847636-168-267822-73-52-(3-methylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid1,3-dioxo-2-(m-tolyl)isoindoline-5-carboxylic acid2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid2-(3-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acidCBMicro_012914Oprea1_534280Oprea1_692013SCHEMBL5012367
Show more names
IFLAB-BB F1018-14011H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-(3-methylphenyl)-1,3-dioxo-
DTXSID00354939SMSF0003998STK389244AKOS000727991AT29794CB02396BIM-0013042.P001ST50216257
Database identifiers
- CAS
67822-73-5- PubChem CID
- 787223
- DTXSID
DTXSID00354939
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
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, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Chemistry & industry
Suppliers8 total
Carbone Scientific CO., LTD[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MATRIX[email protected]
IFLAB-BB[email protected]
ZERENEX[email protected]
PRINCETON[email protected]
SIGMAALDRICH—
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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