3-Amino-1H-indazole-6-carboxylic acid - ≥96% , CAS No.871709-92-1

CAS: 871709-92-1 Cat. No.: A195455 Molecular Weight: 177.16 EC Number: 193-851-3
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
A862750 | SCHEMBL12398426 | AKOS016004814 | MFCD11847525 | 3-amino-1H-indazole-6-carboxylic Acid | DS-3854 | F50940 | DTXSID70469226 | Z1255357179 | FT-0761608 | 3-amino-1H-indazole-6-carboxylicAcid | EN300-1711712 | 3-amino-2H-indazole-6-carboxylic acid
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
A195455-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$15.90

$23.90
Save $8.00 (33.47%)
250mg
A195455-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$55.90

$83.90
Save $28.00 (33.37%)
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Why this grade

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

🌡

Storage & shipping

Room temperature Ships Normal 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.

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Literature proof

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

Specifications

Synonyms
A862750 | SCHEMBL12398426 | AKOS016004814 | MFCD11847525 | 3-amino-1H-indazole-6-carboxylic Acid | DS-3854 | F50940 | DTXSID70469226 | Z1255357179 | FT-0761608 | 3-amino-1H-indazole-6-carboxylicAcid | EN300-1711712 | 3-amino-2H-indazole-6-carboxylic acid
Specifications & Purity
≥96%
Storage
Room temperature
Shipped In
Normal
Purity
≥96%
Names and Identifiers
Canonical SmilesC1=CC2=C(C=C1C(=O)O)NN=C2N
IUPAC Name3-amino-1H-indazole-6-carboxylic acid
InChIKeyNECZTEQDOQLSQW-UHFFFAOYSA-N
INCHI1S/C8H7N3O2/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7/h1-3H,(H,12,13)(H3,9,10,11)
Isomeric SMILES C1=CC2=C(C=C1C(=O)O)NN=C2N
Molecular Weight 177.16
Reaxy-Rn 14491386
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14491386&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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzopyrazoles
SubclassIndazoles
Intermediate Tree Nodes Not available
Direct ParentIndazoles
Alternative Parents Imidolactams  Benzenoids  Pyrazoles  Heteroaromatic compounds  Amino acids  Carboxylic acids  Azacyclic compounds  Primary amines  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzopyrazole - Indazole - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
DescriptionThis 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 Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight177.160 g/mol
XLogP30.700
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass177.054 Da
Monoisotopic Mass177.054 Da
Topological Polar Surface Area92.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity221.000
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
Solution Calculators
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