2-Ethylbenzoyl chloride - ≥95% , CAS No.76118-05-3

CAS: 76118-05-3 Cat. No.: E469650 Molecular Weight: 168.62 EC Number: 623-028-0
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
2-ETHYLBENZOYL CHLORIDE | 2-ETHYL-BENZOYL CHLORIDE | AS-6459 | MFCD12024946 | DTXSID40624769 | AKOS017390830 | BDA11805 | SCHEMBL1021198 | 2-Ethylbenzoyl chloride, 97% | PJGFNNXYKMSCCU-UHFFFAOYSA-N
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
E469650-100mg
5

$51.90

$60.90
Save $9.00 (14.78%)
250mg
E469650-250mg
5

$102.90

$120.90
Save $18.00 (14.89%)
1g
E469650-1g
4

$344.90

$403.90
Save $59.00 (14.61%)
5g
E469650-5g
2

$1,078.90

$1,259.90
Save $181.00 (14.37%)
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🧪

Why this grade

≥95% 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
2-ETHYLBENZOYL CHLORIDE | 2-ETHYL-BENZOYL CHLORIDE | AS-6459 | MFCD12024946 | DTXSID40624769 | AKOS017390830 | BDA11805 | SCHEMBL1021198 | 2-Ethylbenzoyl chloride, 97% | PJGFNNXYKMSCCU-UHFFFAOYSA-N
Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Pubchem Sid504769200
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504769200
Canonical SmilesCCC1=CC=CC=C1C(=O)Cl
IUPAC Name2-ethylbenzoyl chloride
InChIKeyPJGFNNXYKMSCCU-UHFFFAOYSA-N
INCHI1S/C9H9ClO/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3
Isomeric SMILES CCC1=CC=CC=C1C(=O)Cl
Molecular Weight 168.62
Reaxy-Rn 2574210
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2574210&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acids and derivatives
Alternative Parents Benzoyl derivatives  Acyl chlorides  Organooxygen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzoic acid or derivatives - Benzoyl - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
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.

9 results found

Lot NumberCertificate TypeDateItem
G2326808Certificate of AnalysisMay 09, 2026 E469650
G2326819Certificate of AnalysisMay 09, 2026 E469650
G2326823Certificate of AnalysisMay 09, 2026 E469650
G2326825Certificate of AnalysisMay 09, 2026 E469650
G2326827Certificate of AnalysisMay 09, 2026 E469650
G2326831Certificate of AnalysisMay 09, 2026 E469650
G2326842Certificate of AnalysisMay 09, 2026 E469650
G2326844Certificate of AnalysisMay 09, 2026 E469650
A2510178Certificate of AnalysisJul 06, 2023 E469650
Chemical and Physical Properties
Molecular Weight168.620 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass168.034 Da
Monoisotopic Mass168.034 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity144.000
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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