2,4-Dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine - ≥98% , CAS No.1053228-29-7

CAS: 1053228-29-7 Cat. No.: D189512 Molecular Weight: 206.01
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
SCHEMBL1018453 | MFCD16249867 | FT-0699408 | SB14563 | A1-00644 | C6H2Cl2FN3 | SY039745 | DS-16890 | 2,4-Dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine | DTXSID00732031 | 1053228-29-7 | AKOS016002021 | A856690 | GBGLPMUAQOPSLG-UHFFFAOYSA-N | 2,4-dichloro-5
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
D189512-50mg
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$299.90
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Why this grade

≥98% 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

Synonyms
SCHEMBL1018453 | MFCD16249867 | FT-0699408 | SB14563 | A1-00644 | C6H2Cl2FN3 | SY039745 | DS-16890 | 2, 4-Dichloro-5-fluoro-7H-pyrrolo[2, 3-d]pyrimidine | DTXSID00732031 | 1053228-29-7 | AKOS016002021 | A856690 | GBGLPMUAQOPSLG-UHFFFAOYSA-N | 2, 4-dichloro-5
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=C(C2=C(N1)N=C(N=C2Cl)Cl)F
IUPAC Name2,4-dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
InChIKeyGBGLPMUAQOPSLG-UHFFFAOYSA-N
INCHI1S/C6H2Cl2FN3/c7-4-3-2(9)1-10-5(3)12-6(8)11-4/h1H,(H,10,11,12)
Isomeric SMILES C1=C(C2=C(N1)N=C(N=C2Cl)Cl)F
Molecular Weight 206.01
Reaxy-Rn 11278763
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11278763&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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyrrolopyrimidines
SubclassPyrrolo[2,3-d]pyrimidines
Intermediate Tree Nodes Not available
Direct ParentPyrrolo[2,3-d]pyrimidines
Alternative Parents 2-halopyrimidines  Substituted pyrroles  Aryl fluorides  Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organofluorides  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrrolo[2,3-d]pyrimidine - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
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 Weight206.000 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass204.961 Da
Monoisotopic Mass204.961 Da
Topological Polar Surface Area41.600 Ų
Heavy Atom Count12
Formal Charge0
Complexity182.000
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
Reviews

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