5-propoxy-1H-indole-3-carbaldehyde
Basic information
- CAS
1158420-44-0- Standard SMILES
CCCOc1ccc2[nH]cc(C=O)c2c1- InChIKey
DTRQFJTZGXGSEX-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 5-propoxy-1H-indole-3-carbaldehyde
- IUPAC
- 5-propoxy-1H-indole-3-carbaldehyde
- English name
- 5-Propoxy-1H-indole-3-carbaldehyde
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
5-propoxy-1H-indole-3-carbaldehyde1158420-44-0IWB42044AKOS019209971EN300-123902Z14159544301H-Indole-3-carboxaldehyde, 5-propoxy-
Database identifiers
- CAS
1158420-44-0- PubChem CID
- 71757799
- EC Number
- 183-815-5
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 390.2 · 390.2±22.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 15.15 · 15.15±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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