7-Chloro-1H-indole-3-acetic Acid - CAS 1912-41-0

Catalog:	BB014795
Product Name:	7-Chloro-1H-indole-3-acetic Acid
CAS:	1912-41-0
Synonyms:	2-(7-chloro-1H-indol-3-yl)acetic acid; 2-(7-chloro-1H-indol-3-yl)acetic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-(7-chloro-1H-indol-3-yl)acetic acid
Description:	7-Chloro-1H-indole-3-acetic Acid (CAS# 1912-41-0) is a useful research chemical.
Molecular Weight:	209.63
Molecular Formula:	C10H8ClNO2
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)NC=C2CC(=O)O
InChI:	InChI=1S/C10H8ClNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14)
InChI Key:	IFOAZUXPPBRTBS-UHFFFAOYSA-N
Boiling Point:	445.6 °C at 760 mmHg
Density:	1.483 g/cm³
LogP:	2.44840

Publication Number	Title	Priority Date
CN-104311469-A	Synthetic method of substituted indole-3-acetic acid	20140918
CN-104311469-B	A kind of synthetic method of substituted indole-3-acetic acid	20140918
DE-60101914-T2	USE OF INDOL-3-ACETIC ACID DERIVATIVES IN THERAPY	20000630
EP-1296676-A1	Use of indole-3-acetic acid derivatives in medicine	20000630
EP-1296676-B1	Use of indole-3-acetic acid derivatives in medicine	20000630

PMID	Publication Date	Title	Journal
17481907	20070701	Binding of ring-substituted indole-3-acetic acids to human serum albumin	Bioorganic & medicinal chemistry
12182852	20020916	Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0243562
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	209.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1