Indole-3-carboxaldehyde

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Names

[ CAS No. ]:
487-89-8

[ Name ]:
Indole-3-carboxaldehyde

[Synonym ]:
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

Chemical & Physical Properties

[ 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

[ Storage condition ]:
Keep Cold

MSDS

Click to get detail MSDS

Toxicological Information

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

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Indole
  • Indole-3-carbinol
  • 1-TOSYL-1H-INDOLE-3-CARBALDEHYDE
  • 3-Indoleacetic acid
  • N,N-Dimethylformamide
  • tert-Butyl 3-formyl-1H-indole-1-carboxylate
  • 1H-indol-3-ylmethylidene(dimethyl)azanium,chloride
  • 1-Acetylindole-3-carboxaldehyde
  • 1H-Indole-3-carboxaldehyde,oxime
  • N-((1H-indol-3-yl)methyl)aniline

DownStream

  • N,N-diethyl-3-(1-hydroxyethyl)indole-1-carboxamide
  • N-(indol-3-ylidenemethyl)-4-methylaniline
  • 2-(1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole
  • 4-[[(Z)-indol-3-ylidenemethyl]amino]-N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide
  • Methoxybrassinin
  • 4-(indol-3-ylidenemethylamino)benzohydrazide
  • 1-Ethyl-3-formylindole
  • 5-METHOXY-1-METHYLINDOLE-3-CARBOXALDEHYDE
  • tert-Butyl 3-formyl-1H-indole-1-carboxylate

Customs

[ HS Code ]: 2942000000

Articles

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...


More Articles

Related Compounds

  • INDOLE-3-CARBOXALDEHYDE
  • Indole-3-carboxaldehyde azine
  • N-benzylindole-3-carboxaldehyde
  • 1H-Indole-3-carboxaldehyde,oxime
  • 2-methoxyindole-3-carboxaldehyde
  • 1H-Benzo[g]indole-3-carboxaldehyde
  • 2h-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-1-(1-piperidinyl)-
  • 1-Hydroxy-4(1H)-pyridinone 2-(1-hydroxy-4(1H)-pyridinylidene)hydrazone
  • 3-(Pyridin-4-YL)thiophene-2-carbaldehyde
  • 4-Pentylbenzoic acid ethyl ester
  • Methyl 2-(2-hydroxyethyl)-1-benzofuran-6-carboxylate
  • 2-(4-Chlorophenyl)-4,4-dimethyl-5-methyleneoxazoline
  • Methyl 3-(4-ethylphenyl)-2-methyl-3-oxopropanoate
  • N-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide
  • methyl 3-((dimethylamino)methyl)-1H-indole-5-carboxylate
  • N-(3,5-dimethylphenyl)piperidine-2-carboxamide
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