2-Chloro-5-ethylpyrimidine - ≥98% , CAS No.111196-81-7

CAS: 111196-81-7 Cat. No.: C124060 Molecular Weight: 142.59 EC Number: 627-286-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AKOS005255972 | PYRIMIDINE, 2-CHLORO-5-ETHYL- | PS-4625 | A802319 | 5-ethyl-2-chloropyrimidine | STL555622 | 2-chloro-5-ethylpyrimdine | DTXSID20393769 | AC-234 | BBL101825 | SY007766 | 2-Chloro-5-ethylpyrimidine | 2-chloro-5-ethyl-pyrimidine | BGLLZQRUXJ
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
C124060-1g
2

$16.90

$25.90
Save $9.00 (34.75%)
5g
C124060-5g
1

$21.90

$32.90
Save $11.00 (33.43%)
25g
C124060-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$68.90

$103.90
Save $35.00 (33.69%)
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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
AKOS005255972 | PYRIMIDINE, 2-CHLORO-5-ETHYL- | PS-4625 | A802319 | 5-ethyl-2-chloropyrimidine | STL555622 | 2-chloro-5-ethylpyrimdine | DTXSID20393769 | AC-234 | BBL101825 | SY007766 | 2-Chloro-5-ethylpyrimidine | 2-chloro-5-ethyl-pyrimidine | BGLLZQRUXJ
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCCC1=CN=C(N=C1)Cl
IUPAC Name2-chloro-5-ethylpyrimidine
InChIKeyBGLLZQRUXJGTAD-UHFFFAOYSA-N
INCHI1S/C6H7ClN2/c1-2-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3
Isomeric SMILES CCC1=CN=C(N=C1)Cl
WGK Germany 3
Molecular Weight 142.59
Reaxy-Rn 6798614
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6798614&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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Halopyrimidines
Direct Parent2-halopyrimidines
Alternative Parents Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-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 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
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:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDateItem
D1613046Certificate of AnalysisDec 14, 2023 C124060
Chemical and Physical Properties
SensitivityMoisture Sensitive
Refractive Index1.521
Flash Point(°F)235.4 °F
Flash Point(°C)>110℃(230°F)
Boil Point(°C)86°C/4mmHg
Molecular Weight142.580 g/mol
XLogP32.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass142.03 Da
Monoisotopic Mass142.03 Da
Topological Polar Surface Area25.800 Ų
Heavy Atom Count9
Formal Charge0
Complexity79.100
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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