5-Chloroindole-3-carboxaldehyde - CAS 827-01-0

Name: 5-Chloroindole-3-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036885
Product Name:	5-Chloroindole-3-carboxaldehyde
CAS:	827-01-0
Synonyms:	5-chloro-1H-indole-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-1H-indole-3-carbaldehyde
Description:	5-Chloroindole-3-carboxaldehyde (CAS# 827-01-0) is a useful research chemical.
Molecular Weight:	179.60
Molecular Formula:	C9H6ClNO
Canonical SMILES:	C1=CC2=C(C=C1Cl)C(=CN2)C=O
InChI:	InChI=1S/C9H6ClNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChI Key:	YXEXOIGXNYITQH-UHFFFAOYSA-N
Boiling Point:	373.4 °C at 760 mmHg
Melting Point:	209-210 °C
Purity:	98 %
Density:	1.431 g/cm³
MDL:	MFCD00175291
LogP:	2.63380

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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

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WO-2021017795-A1	Î±,Î²-UNSATURATED KETONE DERIVATIVE, PREPARATION METHOD AND USE AS MEDICINE	20190726
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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.0137915
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3