5-Bromo-3-cyclopropyl-1-methylindazole - ≥98% , CAS No.1311197-79-1

CAS: 1311197-79-1 Cat. No.: B181099 Molecular Weight: 251.1 EC Number: 110-642-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
5-Bromo-3-cyclopropyl-1-methyl-1H-indazole | BS-20476 | A888588 | 1H-Indazole, 5-bromo-3-cyclopropyl-1-methyl- | KJFYYJFGROXETI-UHFFFAOYSA-N | 5-Bromo-3-cyclopropyl-1-methylindazole | DTXSID30716642 | AKOS015898066 | SCHEMBL15333180 | MFCD19237237 | 13111
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
5g
B181099-5g
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Why this grade

≥98% 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
5-Bromo-3-cyclopropyl-1-methyl-1H-indazole | BS-20476 | A888588 | 1H-Indazole, 5-bromo-3-cyclopropyl-1-methyl- | KJFYYJFGROXETI-UHFFFAOYSA-N | 5-Bromo-3-cyclopropyl-1-methylindazole | DTXSID30716642 | AKOS015898066 | SCHEMBL15333180 | MFCD19237237 | 13111
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCN1C2=C(C=C(C=C2)Br)C(=N1)C3CC3
IUPAC Name5-bromo-3-cyclopropyl-1-methylindazole
InChIKeyKJFYYJFGROXETI-UHFFFAOYSA-N
INCHI1S/C11H11BrN2/c1-14-10-5-4-8(12)6-9(10)11(13-14)7-2-3-7/h4-7H,2-3H2,1H3
Isomeric SMILES CN1C2=C(C=C(C=C2)Br)C(=N1)C3CC3
Molecular Weight 251.1
Reaxy-Rn 24005013
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24005013&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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 Benzenoids  Aryl bromides  Pyrazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzopyrazole - Indazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - 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 Weight251.120 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass250.011 Da
Monoisotopic Mass250.011 Da
Topological Polar Surface Area17.800 Ų
Heavy Atom Count14
Formal Charge0
Complexity229.000
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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