Indole-5-carboxaldehyde - CAS 1196-69-6

Name: Indole-5-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004570
Product Name:	Indole-5-carboxaldehyde
CAS:	1196-69-6
Synonyms:	1H-Indole-5-carboxaldehyde; 5-Formylindole; Indole-5-aldehyde; Indole-5-carbaldehyde

Technical Data

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Literatures

Computed Properties

Related CAS:	1781226-15-0 (Deleted CAS)
IUPAC Name:	1H-indole-5-carbaldehyde
Molecular Weight:	145.16
Molecular Formula:	C9H7NO
Canonical SMILES:	C1=CC2=C(C=CN2)C=C1C=O
InChI:	InChI=1S/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H
InChI Key:	ADZUEEUKBYCSEY-UHFFFAOYSA-N
Boiling Point:	339.1±15.0°C at 760 Torr
Melting Point:	99-101°C
Purity:	≥95%
Density:	1.278±0.06 g/cm3
Storage:	Store at RT
MDL:	MFCD02093664
LogP:	1.98040

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113214105-A	150-cavity targeted oseltamivir derivative and preparation method and application thereof	20210506
CN-112574093-A	Novel green method for preparing 3-diaryl methyl substituted indole compound	20210129
CN-112625039-A	Pyrroloquinoline compound and synthesis method thereof	20210116
CN-112574180-A	N-2-pyrimidinyl-3-fluoroindole compound and preparation method and application thereof	20201230
CN-112574180-B	N-2-pyrimidinyl-3-fluoroindole compound and preparation method and application thereof	20201230

PMID	Publication Date	Title	Journal
21384318	20110901	Simple indole alkaloids from the neotropical rutaceous tree Raputia simulans	Planta medica
15143836	20040601	Prenylindoles from Tanzanian Monodora and Isolona species	Natural product research

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.052763847
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8