Basic information
- CAS
81779-27-3- Standard SMILES
O=Cc1c[nH]c2cccc(O)c12- InChIKey
QLBZIZLLMNWTHG-UHFFFAOYSA-N- Molecular formula
- C9H7NO2
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.04767846
Overview
4-hydroxyindole-3-carbaldehyde is a heteroarenecarbaldehyde that is 4-hydroxyindole in which the hydrogen at position 3 has been replaced by a formyl group. It has a role as a plant metabolite. It is a heteroarenecarbaldehyde and a member of hydroxyindoles.
Names & identifiers
- Preferred name
- 4-Hydroxyindole-3-carboxaldehyde
- IUPAC
- 4-hydroxy-1H-indole-3-carbaldehyde
- English name
- 4-Hydroxy-1H-indole-3-carbaldehyde
- Molecular formula
- C9H7NO2
- Molecular weight
- 161.16
Names & synonyms
4-Hydroxyindole-3-carboxaldehydeRefChem:524037689-332-04-hydroxy-1H-indole-3-carbaldehyde81779-27-34-hydroxyindole-3-carbaldehydeMFCD058647213-Formyl-4-hydroxy-1H-indole4-Hydroxy-1H-indole-3-carboxaldehyde1H-Indole-3-carboxaldehyde,4-hydroxy-1H-Indole-3-carboxaldehyde, 4-hydroxy-3-formyl-4-hydroxyindole
Show more names
Zinc025637454-hydroxy-1H-indol-3-carbaldehyde4-Hydroxyindole-3-carboxaldehyde98%4-Hydroxyindole-3-carboxaldehyde 98%
4-hydroxy-3-formylindole4-HO-I3CHO4-hydroxy-3-indolecarbaldehydeorb3177745SCHEMBL6311826SCHEMBL299542764-hydroxy-3-indolecarboxaldehydeCHEBI:91162
Database identifiers
- CAS
81779-27-3- PubChem CID
- 9815282
- DTXSID
DTXSID10431124- ChEBI
CHEBI:91162
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 198 · 198-200 °C
- Boiling point
- 426.3 · 426.3±25.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- solid
- pka
- 9.17 · 9.17±0.40(Predicted)
- color
- Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Applications
Uses4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite. 4-Hydroxy-1H-indole-3-carbaldehyde can be isolated from Capparis spinosa L. 4-Hydroxy-1H-indole-3-carbaldehyde can be used in the synthesis of fluorescent probe. 4-Hydroxy-1H-indole-3-carbaldehyde can be used in the study of inflammation-related diseases[1][2][3].
Upstream & downstream products
Upstream raw materials
Suppliers58 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]
河南赢创生物科技有限公司
Related reactions
2 records
Compound notes
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