3-Chloro-N-phenylpropanamide - ≥97% , CAS No.3460-04-6

CAS: 3460-04-6 Cat. No.: C696713 Molecular Weight: 183.63 EC Number: 138-847-4
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
MFCD00018971 | Propanamide, 3-chloro-N-phenyl- | 3-Chloropropionanilide
Storage
Room temperature,Argon charged
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
C696713-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$12.90
1g
C696713-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$33.90
5g
C696713-5g
3
$104.90
25g
C696713-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$342.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged 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
MFCD00018971 | Propanamide, 3-chloro-N-phenyl- | 3-Chloropropionanilide
Specifications & Purity
≥97%
Storage
Room temperature, Argon charged
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)NC(=O)CCCl
IUPAC Name3-chloro-N-phenylpropanamide
InChIKeyFRXJYUFHAXXSAL-UHFFFAOYSA-N
INCHI1S/C9H10ClNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
Isomeric SMILES C1=CC=C(C=C1)NC(=O)CCCl
Molecular Weight 183.63

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
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAnilides
Alternative Parents N-arylamides  Secondary carboxylic acid amides  Organopnictogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl chlorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Anilide - N-arylamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

4 results found

Lot NumberCertificate TypeDateItem
L2519272Certificate of AnalysisOct 29, 2025 C696713
L2519273Certificate of AnalysisOct 29, 2025 C696713
L2519274Certificate of AnalysisOct 29, 2025 C696713
L2519275Certificate of AnalysisOct 29, 2025 C696713
Chemical and Physical Properties
Boil Point(°C)360.2±25.0℃(Predicted)
Melt Point(°C)119.5-120.5℃
Molecular Weight183.630 g/mol
XLogP31.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass183.045 Da
Monoisotopic Mass183.045 Da
Topological Polar Surface Area29.100 Ų
Heavy Atom Count12
Formal Charge0
Complexity143.000
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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