Indazole - ≥99% , CAS No.271-44-3

CAS: 271-44-3 Cat. No.: I157585 Molecular Weight: 118.14 Beilstein Registry Number: 109676 EC Number: 205-978-4

COA

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Indazole - ≥99% CAS No(271-44-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥99%

Synonyms

1,2-Benzopyrazole | F0918-7060 | F1918-0009 | Indazole, 6 | UNII-7C4VQE5C03 | 1H-indazol | EINECS 205-978-4 | FT-0627194 | InChI=1/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9 | J-504679 | SY001125 | Z276614452 | CHEBI:36669 | 2-Azaindole | AM20060873 | SCH

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Solution Calculators Reviews

🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

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.

Overview

A heterocyclic aromatic compound.

Specifications

Synonyms

1, 2-Benzopyrazole | F0918-7060 | F1918-0009 | Indazole, 6 | UNII-7C4VQE5C03 | 1H-indazol | EINECS 205-978-4 | FT-0627194 | InChI=1/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H, (H, 8, 9 | J-504679 | SY001125 | Z276614452 | CHEBI:36669 | 2-Azaindole | AM20060873 | SCH

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid	504751801
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751801
Canonical Smiles	C1=CC=C2C(=C1)C=NN2
IUPAC Name	1H-indazole
InChIKey	BAXOFTOLAUCFNW-UHFFFAOYSA-N
INCHI	1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
Isomeric SMILES	C1=CC=C2C(=C1)C=NN2
WGK Germany	3
RTECS	NK7745000
Molecular Weight	118.14
Beilstein	109676
Reaxy-Rn	109676
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109676&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrazoles
    - Subclass Indazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrazoles
Subclass	Indazoles
Intermediate Tree Nodes	Not available
Direct Parent	Indazoles
Alternative Parents	Benzenoids Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indazole - Benzopyrazole - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
External Descriptors	indazole
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

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MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

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IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)

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AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)

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ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

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PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

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JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

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SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)

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ITK Tclin Tyrosine-protein kinase ITK/TSK (3699 Activities)

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NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

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MAPKAPK2 Tchem MAP kinase-activated protein kinase 2 (4814 Activities)

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PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

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PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

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PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

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AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

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PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)

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ERBB4 Tclin Receptor protein-tyrosine kinase erbB-4 (2748 Activities)

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SGK1 Tchem Serine/threonine-protein kinase Sgk1 (2343 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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RIPK2 Tchem Serine/threonine-protein kinase RIPK2 (1546 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PAK1 Tchem Serine/threonine-protein kinase PAK 1 (2601 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAP3K5 Tchem Mitogen-activated protein kinase kinase kinase 5 (1965 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FES Tclin Tyrosine-protein kinase FES (2339 Activities)

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PAK2 Tchem Serine/threonine-protein kinase PAK 2 (1925 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRAF Tclin Serine/threonine-protein kinase B-raf (11587 Activities)

Discover Target: BRAF

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK2 Tchem Cyclin-dependent kinase 2/cyclin A (2220 Activities)

Discover Target: CDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay 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.

6 results found

Lot Number	Certificate Type	Date	Item
J2220301	Certificate of Analysis	Oct 11, 2022	I157585
J2220302	Certificate of Analysis	Oct 11, 2022	I157585
J2220304	Certificate of Analysis	Oct 11, 2022	I157585
J2220305	Certificate of Analysis	Oct 11, 2022	I157585
J2523787	Certificate of Analysis	Oct 11, 2022	I157585
L2403271	Certificate of Analysis	Oct 11, 2022	I157585

Chemical and Physical Properties

Solubility	Soluble in hot water.
Sensitivity	Air sensitive
Boil Point(°C)	270 °C
Melt Point(°C)	147 °C
Molecular Weight	118.140 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	118.053 Da
Monoisotopic Mass	118.053 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Documents & Articles

Indazole (Indazole) Scaffold Explained: How Adjacent Nitrogens, Tautomerism, and Substitution Sites Make H-Bonding and Acid–Base Behavior Tunable

Categories: Technical articles

Tags:

Indazole

Pyrazole Research Roadmap: Dual-Nitrogen Structural Features, Typical Applications, and Selection-Oriented Classification Navigation (Tables 1–4)

Categories: Technical articles

Tags:

Pyrazole Pyrazoles

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