3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine - ≥95% , CAS No.272107-22-9

CAS: 272107-22-9 Cat. No.: D710563 Molecular Weight: 387.49 PubChem CID: 10157048
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
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Size
Status
Price
Qty
100mg
D710563-100mg
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesC1CC2=C(CC3=C1C=C(C=C3Br)Cl)N=CC(=C2)Br
IUPAC Name6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
InChIKeyMLUVTRZDSIHGAD-UHFFFAOYSA-N
INCHI1S/C14H10Br2ClN/c15-10-3-9-2-1-8-4-11(17)5-13(16)12(8)6-14(9)18-7-10/h3-5,7H,1-2,6H2
Isomeric SMILES C1CC2=C(CC3=C1C=C(C=C3Br)Cl)N=CC(=C2)Br
PubChem CID 10157048
Molecular Weight 387.49

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
ClassBenzocycloheptapyridines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzocycloheptapyridines
Alternative Parents Pyridines and derivatives  Benzenoids  Aryl chlorides  Aryl bromides  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organochlorides  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzocycloheptapyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.
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 Weight387.490 g/mol
XLogP35.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass386.885 Da
Monoisotopic Mass384.887 Da
Topological Polar Surface Area12.900 Ų
Heavy Atom Count18
Formal Charge0
Complexity302.000
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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