6-iodo-1H-indazole-3-carboxylic acid - ≥97% , CAS No.885520-67-2

CAS: 885520-67-2 Cat. No.: I177962 Peso molecular: 288.044 Número EC: 814-279-9
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
RRJVCGPPXNEYJQ-UHFFFAOYSA-N | SY099354 | AS-48570 | 6-Iodoindazole-3-carboxylic Acid | 6-iodo-1H-indazole-3-carboxylic acid | 1h-indazole-3-carboxylic acid,6-iodo- | 6-iodo-1H-indazole-3-carboxylicacid | F51305 | DTXSID601289841 | SCHEMBL11971138 | AKOS00
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
I177962-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
836,90US$
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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.

Specifications

Sinónimos
RRJVCGPPXNEYJQ-UHFFFAOYSA-N | SY099354 | AS-48570 | 6-Iodoindazole-3-carboxylic Acid | 6-iodo-1H-indazole-3-carboxylic acid | 1h-indazole-3-carboxylic acid, 6-iodo- | 6-iodo-1H-indazole-3-carboxylicacid | F51305 | DTXSID601289841 | SCHEMBL11971138 | AKOS00
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasC1=CC2=C(C=C1I)NN=C2C(=O)O
IUPAC Name6-iodo-1H-indazole-3-carboxylic acid
InChIKeyRRJVCGPPXNEYJQ-UHFFFAOYSA-N
INCHI1S/C8H5IN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
Isómeros SMILES C1=CC2=C(C=C1I)NN=C2C(=O)O
Peso molecular 288.044
Reaxy-Rn 22779940
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22779940&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseBenzopyrazoles
SubclassIndazoles
Intermediate Tree Nodes Not available
Direct ParentIndazoles
Alternative Parents Pyrazole carboxylic acids and derivatives  Benzenoids  Aryl iodides  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organoiodides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indazole - Benzopyrazole - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Benzenoid - Aryl iodide - Aryl halide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular288.040 g/mol
XLogP32.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass287.94 Da
Monoisotopic Mass287.94 Da
Topological Polar Surface Area66.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity224.000
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
Calculadoras de soluciones
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