4'-Methylformanilide - ≥98%, mixture of isomers , CAS No.3085-54-9

CAS: 3085-54-9 Cat. No.: M158337 Molecular Weight: 135.17 Beilstein Registry Number: 12(4)1901 EC Number: 221-400-3
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GRADE & PURITY ≥98% mixture of isomers
Synonyms
4//'-Methylformanilide | MFCD00014124 | N-p-Tolylformamide | EINECS 221-400-3 | N-(p-Tolyl)formamide | ALPHA-[2-(DIISOPROPYLAMINO)ETHYL]-ALPHA-ISOBUTYLPYRIDINE-2-ACETAMIDE | AS-60195 | N-Formyl-p-toluidine | SB85416 | AKOS000121400 | Formyl-p-toluidin | F
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
M158337-1g
5
$39.90
5g
M158337-5g
5
$152.90
25g
M158337-25g
2

$500.90

$684.90
Save $184.00 (26.87%)
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Why this grade

≥98%, mixture of isomers 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
4//'-Methylformanilide | MFCD00014124 | N-p-Tolylformamide | EINECS 221-400-3 | N-(p-Tolyl)formamide | ALPHA-[2-(DIISOPROPYLAMINO)ETHYL]-ALPHA-ISOBUTYLPYRIDINE-2-ACETAMIDE | AS-60195 | N-Formyl-p-toluidine | SB85416 | AKOS000121400 | Formyl-p-toluidin | F
Specifications & Purity
≥98%, mixture of isomers
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488185283
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488185283
Canonical SmilesCC1=CC=C(C=C1)NC=O
IUPAC NameN-(4-methylphenyl)formamide
InChIKeyGRVKDWHXLFEVBP-UHFFFAOYSA-N
INCHI1S/C8H9NO/c1-7-2-4-8(5-3-7)9-6-10/h2-6H,1H3,(H,9,10)
Isomeric SMILES CC1=CC=C(C=C1)NC=O
Molecular Weight 135.17
Beilstein 12(4)1901
Reaxy-Rn 2205371
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205371&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAnilides
Alternative Parents N-arylamides  Toluenes  Secondary carboxylic acid amides  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Anilide - N-arylamide - Toluene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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





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.

7 results found

Lot NumberCertificate TypeDateItem
B2511281Certificate of AnalysisJun 17, 2024 M158337
G2318702Certificate of AnalysisJun 08, 2023 M158337
G2318724Certificate of AnalysisJun 08, 2023 M158337
G2318731Certificate of AnalysisJun 08, 2023 M158337
G2318738Certificate of AnalysisJun 08, 2023 M158337
G2318952Certificate of AnalysisJun 08, 2023 M158337
G2318965Certificate of AnalysisJun 08, 2023 M158337
Chemical and Physical Properties
SolubilitySoluble in Methanol
Melt Point(°C)53°C(lit.)
Molecular Weight135.160 g/mol
XLogP31.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass135.068 Da
Monoisotopic Mass135.068 Da
Topological Polar Surface Area29.100 Ų
Heavy Atom Count10
Formal Charge0
Complexity106.000
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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