Basic information
- CAS
723-89-7- Standard SMILES
O=C1C(=O)N(c2ccccc2)c2ccccc21- InChIKey
UWCPWBIMRYXUOU-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Names & identifiers
- Preferred name
- 1-Phenylisatin
- IUPAC
- 1-phenylindole-2,3-dione
- English name
- 1-Phenylisatin
- Molecular formula
- C14H9NO2
- Molecular weight
- 223.23
Names & synonyms
1-Phenylisatin723-89-71-phenylindole-2,3-dione1H-Indole-2,3-dione, 1-phenyl-DTXSID20222626RefChem:435721DTXCID50145117624-596-21-Phenylindoline-2,3-dione1-Phenyl-1H-indole-2,3-dioneN-Phenylisatin1-phenyl-2,3-dihydro-1H-indole-2,3-dione
Show more names
1-PHENYLSATIN1-Phenylisatine1-Phenylisatin,98%1-Phenylisatin >1-phenyl-indole-3-dione
1-Phenyl-indole-2,3-dioneMFCD00082681INDOLE-2,3-DIONE, 1-PHENYL-Phenyl IsatinN-phenyl isatinNSC 100013BRN 01645311-Phenyl-2,3-indolinedione
Database identifiers
- CAS
723-89-7- PubChem CID
- 12884
- DTXSID
DTXSID20222626- ChEMBL
CHEMBL117447- EC Number
- 624-596-2
- Nikkaji
- J64.785C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 138 · 138-140 °C (lit.)
- Boiling point
- 388.8 · 388.8±25.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- -7.03 · -7.03±0.20(Predicted)
- color
- Light yellow to Brown
- Water Solubility
- Insoluble in water.
- λmax
- 419 nm · 419nm(EtOH)(lit.)
- BRN
- 164531 · 164531
- InChI
- InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H
- InChIKey
- UWCPWBIMRYXUOU-UHFFFAOYSA-N
- SMILES
- N1(C2=CC=CC=C2)C2=C(C=CC=C2)C(=O)C1=O
- CAS DataBase Reference
- 723 · 723-89-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
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 (95%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (95%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H331 (95%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (95%)；Acute Tox. 3 (95%)；Acute Tox. 3 (95%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- NL7984000
- hs_code
- 29337900
- risk_code
- 23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 27-28-36/37/39-45
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses1-Phenylisatin is a reactant for preparation of indolin-2,3-dione Schiff bases as potential antimycobacterial agents, antipyretic agents, antiproliferative agents, phenylacetamides as anticonvulsant agents and selective Galanin GAL3 receptor antagonists.
General Description1-Phenylisatin is an isatin. It is a potential anticancer, anti-HIV drug. Its binding interaction with a model transport protein bovine serum albumin (BSA) has been investigated using fluorescence spectroscopic technique. Interactions between human adult hemoglobin (Hb) and 1-phenylisatin has been investigated by steady state and time-resolved fluorescence along with circular dichroism (CD) spectroscopic, FTIR and anisotropy.
Upstream & downstream products
Downstream products
Suppliers75 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
26 records
Compound notes
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