Basic information
- CAS
32542-59-9- Standard SMILES
O=Cc1cn(-c2ccccc2)c2ccccc12- InChIKey
KCAGQLHYSPGZNH-UHFFFAOYSA-N- Molecular formula
- C15H11NO
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.08406397
Names & identifiers
- Preferred name
- 1-Phenyl-1H-indole-3-carbaldehyde
- IUPAC
- 1-phenylindole-3-carbaldehyde
- English name
- 1-Phenyl-1H-indole-3-carbaldehyde
- Molecular formula
- C15H11NO
- Molecular weight
- 221.25
Names & synonyms
1-phenyl-1H-indole-3-carbaldehyde32542-59-9DTXSID70495242RefChem:233053DTXCID704460521-phenylindole-3-carbaldehyde1H-Indole-3-carboxaldehyde, 1-phenyl-MFCD16618450N-phenyl-indole-3-carbaldehydeSCHEMBL94122721-phenylindole-3-carboxaldehydeKCAGQLHYSPGZNH-UHFFFAOYSA-N
Show more names
1-phenyl-1H-indol-3-carboxaldehyde1-phenyl-1H-indole-3-methylaldehyde
ALBB-014231AKOS005145491LS-04474SY278917DB-201907CS-0451022E80275F369954
Database identifiers
- CAS
32542-59-9- PubChem CID
- 12377926
- DTXSID
DTXSID70495242- Nikkaji
- J3.072.306F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 77 · 77-78 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 311 · 311.0±25.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Suppliers27 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
苏州启航生物科技有限公司18151111370
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
天津康利欣科技有限公司18622939839 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
德州博腾精细化工有限公司[email protected]
Related reactions
2 records
Compound notes
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