Basic information
- CAS
25365-71-3- Standard SMILES
O=Cc1c(-c2ccccc2)[nH]c2ccccc12- InChIKey
IFIFXODAHZPTEY-UHFFFAOYSA-N- Molecular formula
- C15H11NO
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.08406397
Names & identifiers
- Preferred name
- 2-Phenylindole-3-carboxaldehyde
- IUPAC
- 2-phenyl-1H-indole-3-carbaldehyde
- English name
- 2-Phenylindole-3-carboxaldehyde
- Molecular formula
- C15H11NO
- Molecular weight
- 221.25
Names & synonyms
2-Phenylindole-3-carboxaldehydeRefChem:478189625-796-22-Phenyl-1H-indole-3-carbaldehyde25365-71-32-Phenylindole-3-carbaldehydeMFCD004354813-Formyl-2-phenylindole1H-Indole-3-carboxaldehyde, 2-phenyl-2-Phenyl-3-formylindole2-phenyl-1h-indole-3-carboxaldehyde2-phenyl-3-formyl-indole
Show more names
AURORA 23280AKOS SVR00140AKOS BBS-00002162ART-CHEM-BB B023284OTAVA-BB BB72141100353-FORMYL-2-PHENYL-INDOLE2-PHENYLINDOLE-3-ALDEHYDE
3-formyl-2-phenyl indoleCambridge id 5402328CHEMBL447189SCHEMBL14297132-Phenyl-3-indolecarboxaldehydeDTXSID40346575ALBB-006196Indole-3-carboxaldehyde, 2-phenyl-
Database identifiers
- CAS
25365-71-3- PubChem CID
- 613305
- DTXSID
DTXSID40346575- ChEMBL
CHEMBL447189- EC Number
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 249 · 249-253 °C (lit.)
- Boiling point
- 462.9 · 462.9±33.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 15.3 · 15.30±0.30(Predicted)
- color
- White to Brown
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C15H11NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h1-10,16H
- InChIKey
- IFIFXODAHZPTEY-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C(C=O)=C1C1=CC=CC=C1
- CAS DataBase Reference
- 25365 · 25365-71-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
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)
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for preparation of: Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulatorsPyrimidinones via Biginelli reaction as antimicrobial agents[(phenyl)pyrazolyl]indole derivatives as antiinflammatory agents and analgesicsIndole thiophene chalcones via Claisen-Schmidt condensation as antimicrobial and antioxidant agentsBenzofuranone attached indole derivatives as PI3K inhibitorsIonone-based chalcones as novel antiandrogensOxazolylindoles as antiinflammatory agents for edema
Suppliers61 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
6 records
Compound notes
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