1‐methyl‐7‐nitro‐1H‐indazole - ≥97% , CAS No.58706-36-8

CAS: 58706-36-8 Cat. No.: M176869 Molecular Weight: 177.1601
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
A831985 | 7-nitro-1-methylindazole | J-504985 | 1H-Indazole, 1-methyl-7-nitro- | P15310 | 1-methyl-7-nitroindazole | 1-methyl-7-nitro-indazole | MFCD09832095 | 1(c)\\methyl(c)\\7(c)\\nitro(c)\\1H(c)\\indazole | DTXSID10207407 | 1-Methyl-7-nitroisoindazole
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
1g
M176869-1g
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Why this grade

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

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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
A831985 | 7-nitro-1-methylindazole | J-504985 | 1H-Indazole, 1-methyl-7-nitro- | P15310 | 1-methyl-7-nitroindazole | 1-methyl-7-nitro-indazole | MFCD09832095 | 1(c)\\methyl(c)\\7(c)\\nitro(c)\\1H(c)\\indazole | DTXSID10207407 | 1-Methyl-7-nitroisoindazole
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCN1C2=C(C=CC=C2[N+](=O)[O-])C=N1
IUPAC Name1-methyl-7-nitroindazole
InChIKeyHLSOBULFCLIDKE-UHFFFAOYSA-N
INCHI1S/C8H7N3O2/c1-10-8-6(5-9-10)3-2-4-7(8)11(12)13/h2-5H,1H3
Isomeric SMILES CN1C2=C(C=CC=C2[N+](=O)[O-])C=N1
Molecular Weight 177.1601
Reaxy-Rn 162667
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=162667&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
ClassBenzopyrazoles
SubclassIndazoles
Intermediate Tree Nodes Not available
Direct ParentIndazoles
Alternative Parents Nitroaromatic compounds  Benzenoids  Pyrazoles  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzopyrazole - Indazole - Nitroaromatic compound - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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





Associated Targets(Human)
NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NOS3 Tchem Nitric-oxide synthase, endothelial (1452 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Nos2 Nitric oxide synthase, inducible (3573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 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:
Chemical and Physical Properties
Molecular Weight177.160 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass177.054 Da
Monoisotopic Mass177.054 Da
Topological Polar Surface Area63.600 Ų
Heavy Atom Count13
Formal Charge0
Complexity216.000
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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