4,6-Dichloroindole-2-carboxylic acid - ≥96% , CAS No.101861-63-6

CAS: 101861-63-6 Cat. No.: D178779 Molecular Weight: 230.05 EC Number: 675-892-3
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
1H-Indole-2-carboxylic acid, 4,6-dichloro- | AC-9000 | BRN 1810219 | 1-Piperidinebutanol, alpha,alpha-diphenyl- | SCHEMBL727389 | SpecPlus_000800 | 4,6-dichloro-1H-indole-2-carboxylic acid | KBio2_007460 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylicacidmethyle
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
D178779-250mg
3

$13.90

$20.90
Save $7.00 (33.49%)
1g
D178779-1g
3

$43.90

$65.90
Save $22.00 (33.38%)
5g
D178779-5g
2

$179.90

$269.90
Save $90.00 (33.35%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1H-Indole-2-carboxylic acid, 4, 6-dichloro- | AC-9000 | BRN 1810219 | 1-Piperidinebutanol, alpha, alpha-diphenyl- | SCHEMBL727389 | SpecPlus_000800 | 4, 6-dichloro-1H-indole-2-carboxylic acid | KBio2_007460 | 1H-Pyrrolo[2, 3-b]pyridine-5-carboxylicacidmethyle
Specifications & Purity
≥96%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥96%
Names and Identifiers
Canonical SmilesC1=C(C=C(C2=C1NC(=C2)C(=O)O)Cl)Cl
IUPAC Name4,6-dichloro-1H-indole-2-carboxylic acid
InChIKeyDHXISZKSSIWRLH-UHFFFAOYSA-N
INCHI1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)
Isomeric SMILES C1=C(C=C(C2=C1NC(=C2)C(=O)O)Cl)Cl
Molecular Weight 230.05
Reaxy-Rn 182734
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=182734&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolecarboxylic acids and derivatives
Alternative Parents Indoles  Pyrrole 2-carboxylic acids  Substituted pyrroles  Benzenoids  Aryl chlorides  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Aryl halide - Benzenoid - Substituted pyrrole - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GRIN1 Tclin Glutamate receptor ionotropic, NMDA 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
I2526436Certificate of AnalysisJul 26, 2025 D178779
I2526458Certificate of AnalysisJul 26, 2025 D178779
I2526459Certificate of AnalysisJul 26, 2025 D178779
Chemical and Physical Properties
Molecular Weight230.040 g/mol
XLogP33.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass228.97 Da
Monoisotopic Mass228.97 Da
Topological Polar Surface Area53.100 Ų
Heavy Atom Count14
Formal Charge0
Complexity249.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
Reviews

Customer Reviews

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