4-Chloro-2-methyl-5-propylpyrimidine - Reagent grade , CAS No.959239-77-1

CAS: 959239-77-1 Cat. No.: C479918 Molecular Weight: 170.64 EC Number: 117-059-4 PubChem CID: 28064543
AVAILABLE TO ORDER
GRADE & PURITY Reagent Grade ? General reagent-grade purity suitable for most laboratory work. Use as a dependable default when no specific higher grade is required.
Synonyms
4-Chloro-2-methyl-5-propylpyrimidine | 4-Chloro-2-methyl-5-propyl-pyrimidine | MFCD09864481 | BS-38775 | DTXSID20650945 | FT-0756664 | 4-Chloro-2-methyl-5-propylpyrimidine, AldrichCPR | SB55562 | EC-000.2065 | AKOS006282550
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
C479918-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$227.90

$266.90
Save $39.00 (14.61%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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
4-Chloro-2-methyl-5-propylpyrimidine | 4-Chloro-2-methyl-5-propyl-pyrimidine | MFCD09864481 | BS-38775 | DTXSID20650945 | FT-0756664 | 4-Chloro-2-methyl-5-propylpyrimidine, AldrichCPR | SB55562 | EC-000.2065 | AKOS006282550
Specifications & Purity
Reagent grade
Legal Information
Product of ChemBridge Corp.
Storage
Room temperature
Grade
Reagent Grade
Names and Identifiers
Canonical SmilesCCCC1=CN=C(N=C1Cl)C
IUPAC Name4-chloro-2-methyl-5-propylpyrimidine
InChIKeyCDBCAEDPKQHTSE-UHFFFAOYSA-N
INCHI1S/C8H11ClN2/c1-3-4-7-5-10-6(2)11-8(7)9/h5H,3-4H2,1-2H3
Isomeric SMILES CCCC1=CN=C(N=C1Cl)C
WGK Germany 3
PubChem CID 28064543
Molecular Weight 170.64

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
ClassDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct ParentHalopyrimidines
Alternative Parents Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring 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 Weight170.640 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass170.061 Da
Monoisotopic Mass170.061 Da
Topological Polar Surface Area25.800 Ų
Heavy Atom Count11
Formal Charge0
Complexity119.000
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
Documents & Articles
Solution Calculators
Reviews

Customer Reviews

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Reagent Grade grade guide →

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.