Indole-3-carboxaldehyde

Modify Date: 2026-06-30 06:35:37

Indole-3-carboxaldehyde Structure
Indole-3-carboxaldehyde structure
 Common Name Indole-3-carboxaldehyde
CAS Number 487-89-8 Molecular Weight 145.158
Density 1.3±0.1 g/cm3 Boiling Point 339.1±15.0 °C at 760 mmHg
Molecular Formula C9H7NO Melting Point 193-198 °C(lit.)
MSDS USA Flash Point 166.8±27.8 °C

 Use of Indole-3-carboxaldehyde


Indole-3-carboxaldehyde (3-Formylindole), a cabbage extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].

Summary: Indole-3-carboxaldehyde (3-Formylindole, CAS号：487-89-8), molecular formula: C9H7NO, molecular weight: 145.158. White to gray-white crystals, melting point 193-198 °C, boiling point 339.1±15.0 °C, density 1.3±0.1 g/cm3. For research-use only, not for medical or clinical usage.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name Indole-3-carboxaldehyde
Synonym More Synonyms

 Indole-3-carboxaldehyde Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Indole-3-carboxaldehyde (3-Formylindole), a cabbage extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].
Related Catalog
References

[1]. Robert E. Stutz, et al. Enzymatic Formation of Indole-3-Carboxaldehyde from Indole-3-Acetic Acid. Plant Physiol. 1958 May; 33(3): 207–212.

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.3±0.1 g/cm3
Boiling Point 339.1±15.0 °C at 760 mmHg
Melting Point 193-198 °C(lit.)
Molecular Formula C9H7NO
Molecular Weight 145.158
Flash Point 166.8±27.8 °C
Exact Mass 145.052765
PSA 32.86000
LogP 1.68
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.729
InChIKey OLNJUISKUQQNIM-UHFFFAOYSA-N
SMILES O=Cc1c[nH]c2ccccc12
Storage condition Keep Cold

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5993600
CHEMICAL NAME :
Indole-3-carboxaldehyde
CAS REGISTRY NUMBER :
487-89-8
BEILSTEIN REFERENCE NO. :
0114117
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H7-N-O
MOLECULAR WEIGHT :
145.17
WISWESSER LINE NOTATION :
T56 BMJ DVH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - anticonvulsant Behavioral - changes in motor activity (specific assay)
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 6,33,1972

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi: Irritant;
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS NL5993600
HS Code 2942000000

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2942000000

 Articles37

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

A chemical screening approach reveals that indole fluorescence is quenched by pre-fibrillar but not fibrillar amyloid-beta.

Bioorg. Med. Chem. Lett. 19 , 4952-7, (2009)

Aggregated amyloid-beta (Abeta) peptide is implicated in the pathology of Alzheimer's disease. In vitro and in vivo, these aggregates are found in a variety of morphologies, including globular oligome...

Antioxidative properties of ascorbigen in using multiple antioxidant assays.

Biosci. Biotechnol. Biochem. 78(10) , 1723-30, (2014)

The antioxidative properties of ascorbigen, one of the major indole-derived compounds of Brassica vegetables, were systematically evaluated using multiple assay systems with comparison to the well-kno...

Rational design of novel CYP2A6 inhibitors.

Bioorg. Med. Chem. 22(23) , 6655-64, (2015)

Inhibition of CYP2A6-mediated nicotine metabolism can reduce cigarette smoking. We sought potent and selective CYP2A6 inhibitors to be used as leads for drugs useful in smoking reduction therapy, by e...

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3-Indolecarboxaldehyde
INDOLE-3-ALDEHYDE
1H-Indole-3-carboxaldehyde
indole-3-carbaldehyde
1H-Indole-3-carbaldehyde
I3CA
indol-3-carboxaldehyde
INDOL-3-ALDEHYDE
3-Formylindol
3-Indolealdehyde
3-Indolecarbaldehyde
3-Indoledehyde
Indole-3-carboxyaldehyde
EINECS 207-665-8
Indole-3-carboxaldehyde
AURORA KA-4265
MFCD00005622
3-Formylindole
Indole-3-methand

 Indole-3-carboxaldehyde | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the boiling point of Indole-3-carboxaldehyde?
A: Boiling point of Indole-3-carboxaldehyde is 339.1±15.0 °C at 760 mmHg.
Q: What are the downstream products of Indole-3-carboxaldehyde?
A: Related downstream products(CAS) of Indole-3-carboxaldehyde: 105949-28-8;105850-59-7;112251-27-1;108583-08-0;105748-60-5;108583-16-0;58494-59-0;39974-94-2;57476-50-3.
Q: What is the SMILES notation of Indole-3-carboxaldehyde?
A: SMILES notation of Indole-3-carboxaldehyde is O=Cc1c[nH]c2ccccc12.
Q: What English synonyms does Indole-3-carboxaldehyde have?
A: English synonyms of Indole-3-carboxaldehyde: 3-Indolecarboxaldehyde, INDOLE-3-ALDEHYDE, 1H-Indole-3-carboxaldehyde, indole-3-carbaldehyde, 1H-Indole-3-carbaldehyde, I3CA, indol-3-carboxaldehyde, INDOL-3-ALDEHYDE, 3-Formylindol, 3-Indolealdehyde, 3-Indolecarbaldehyde, 3-Indoledehyde, Indole-3-carboxyaldehyde, EINECS 207-665-8, Indole-3-carboxaldehyde, AURORA KA-4265, MFCD00005622, 3-Formylindole, Indole-3-methand.
Q: What is the melting point of Indole-3-carboxaldehyde?
A: Melting point of Indole-3-carboxaldehyde is 193-198 °C(lit.).
Q: What is the molecular weight of Indole-3-carboxaldehyde?
A: Molecular weight of Indole-3-carboxaldehyde is 145.158.
Q: What is the InChIKey of Indole-3-carboxaldehyde?
A: InChIKey of Indole-3-carboxaldehyde is OLNJUISKUQQNIM-UHFFFAOYSA-N.
Q: What are the uses of Indole-3-carboxaldehyde?
A: Main uses of Indole-3-carboxaldehyde: Indole-3-carboxaldehyde (3-Formylindole), a cabbage extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].
Q: What is the CAS number of Indole-3-carboxaldehyde?
A: CAS number of Indole-3-carboxaldehyde is 487-89-8.
Q: What is the polar surface area (PSA) of Indole-3-carboxaldehyde?
A: Polar surface area (PSA) of Indole-3-carboxaldehyde is 32.86000.

 Indole-3-carboxaldehydefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
BioBioPha
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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