Indole-2-carboxaldehyde - CAS 19005-93-7

Name: Indole-2-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014693
Product Name:	Indole-2-carboxaldehyde
CAS:	19005-93-7
Synonyms:	1H-indole-2-carbaldehyde

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Computed Properties

IUPAC Name:	1H-indole-2-carbaldehyde
Description:	Indole-2-carboxaldehyde (CAS# 19005-93-7) is a useful research chemical.
Molecular Weight:	145.16
Molecular Formula:	C9H7NO
Canonical SMILES:	C1=CC=C2C(=C1)C=C(N2)C=O
InChI:	InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H
InChI Key:	SBNOTUDDIXOFSN-UHFFFAOYSA-N
Boiling Point:	339.1 °C at 760 mmHg
Density:	1.278 g/cm³
Appearance:	White to tan powder, crystals, crystalline powder and/or chunks
MDL:	MFCD03001425
LogP:	1.98040

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113462606-A	Strain for preventing infant from diarrhea caused by supplementary food and application thereof	20210727
CN-113501825-A	Bioactive oxindole oxide structure of 3, 4-fused seven-membered heterocycle, and synthesis method and application thereof	20210713
CN-113292475-A	Preparation method of bis-indole phenethylene compound	20210617
CN-113292476-A	Sulfaindole derivative and preparation method and application thereof	20210518
CN-113214105-A	150-cavity targeted oseltamivir derivative and preparation method and application thereof	20210506

PMID	Publication Date	Title	Journal
22920858	20120907	Total synthesis of (±)-hirsutine: application of phosphine-catalyzed imine-allene [4 + 2] annulation	Organic letters
22455439	20120406	Addition of indoles to oxyallyl cations for facile access to α-indole carbonyl compounds	Organic letters
21744859	20111007	Gold-catalyzed cycloisomerizations of 1-(2-(tosylamino)phenyl)prop-2-yn-1-ols to 1H-indole-2-carbaldehydes and (E)-2-(iodomethylene)indolin-3-ols	The Journal of organic chemistry
21714488	20110801	Synthesis and characterization of neutral luminescent diphosphine pyrrole- and indole-aldimine copper(I) complexes	Inorganic chemistry
21510619	20110520	'One-pot' multicomponent approach to indolizines and pyrido[1,2-a]indoles	Organic letters

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:	2.2