2-(4-Fluorophenyl)-1H-indole-3-carboxaldehyde
Basic information
- CAS
70093-12-8- Standard SMILES
O=Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12- InChIKey
RLQLBZDVAGJSFK-UHFFFAOYSA-N- Molecular formula
- C15H10FNO
- Average molar mass
- 239.24 g/mol
- Monoisotopic mass
- 239.07464211
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-1H-indole-3-carboxaldehyde
- IUPAC
- 2-(4-fluorophenyl)-1H-indole-3-carbaldehyde
- English name
- 2-(4-Fluorophenyl)-1H-indole-3-carboxal&
- Molecular formula
- C15H10FNO
- Molecular weight
- 239.24
Names & synonyms
2-(4-Fluorophenyl)-1H-indole-3-carboxaldehydeRefChem:457685623-442-12-(4-Fluorophenyl)-1H-indole-3-carbaldehyde70093-12-8MFCD002786292-(4-Fluorophenyl)-1h-indole-3-carboxal&2-(4-FLUOROPHENYL)-1H-INDOLE-3-CARBOXALSCHEMBL2062029CHEMBL2262921DTXSID80347026RLQLBZDVAGJSFK-UHFFFAOYSA-N
Show more names
1H-Indole-3-carboxaldehyde, 2-(4-fluorophenyl)-
STK893265AKOS001476016NCGC00339942-01AS-66063CS-0455047E74237AB01332767-02F775564
Database identifiers
- CAS
70093-12-8- PubChem CID
- 617264
- DTXSID
DTXSID80347026- ChEMBL
CHEMBL2262921- EC Number
- 623-442-1
- Nikkaji
- J1.114.685F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 254 · 254-259 °C (dec.)(lit.)
- Boiling point
- 459 · 459.0±35.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 15.02 · 15.02±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Suppliers
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Related reactions
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Compound notes
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