4-Methoxybenzonitrile - ≥99% , CAS No.874-90-8

CAS: 874-90-8 Cat. No.: M111093 Formule: C8H7NO Poids moléculaire: 133.15 Beilstein Registry Number: 10(3)344 Numéro CE: 212-871-6
DISPONIBLE À COMMANDE
GRADE & PURITY ≥99%
Synonyms
Anisonitrile | 4-anisonitrile | BP-12473 | STR00967 | HMS1760K15 | NSC 3777 | NSC 71539 | NSC3777 | NSC-3777 | 1-methoxy-4-cyano-benzene | AMY4132 | NSC71539 | NSC-71539 | PS-4309 | Tox21_304041 | p-Methoxybenzonitrile | 1-Cyano-4-methoxybenzene | p-Aniso
Storage
Room temperature,Desiccated
Shipped In
Normal
★
Size
USA
Allemagne (EU)*
Price
Qty
5g
M111093-5g
3 En stock
—
14,90$US
25g
M111093-25g
3 En stock
—

26,90$US

49,90$US
Enregistrer 23,00 $US (46.09%)
100g
M111093-100g
2 En stock
—

91,90$US

159,90$US
Enregistrer 68,00 $US (42.53%)
500g
M111093-500g
1 En stock
—

297,90$US

559,90$US
Enregistrer 262,00 $US (46.79%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Desiccated 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
Anisonitrile | 4-anisonitrile | BP-12473 | STR00967 | HMS1760K15 | NSC 3777 | NSC 71539 | NSC3777 | NSC-3777 | 1-methoxy-4-cyano-benzene | AMY4132 | NSC71539 | NSC-71539 | PS-4309 | Tox21_304041 | p-Methoxybenzonitrile | 1-Cyano-4-methoxybenzene | p-Aniso
Spécifications et pureté
≥99%
Conditions de stockage de stockage
Room temperature,Desiccated
Expédié en
Normal
Pureté
≥99%
Noms et identifiants
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754490
Sourires canoniques
COC1=CC=C(C=C1)C#N
IUPAC Name
4-methoxybenzonitrile
InChIKey
XDJAAZYHCCRJOK-UHFFFAOYSA-N
INCHI
1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
Isomères SMILES
COC1=CC=C(C=C1)C#N
WGK Allemagne
3
Poids moléculaire
133.15
Beilstein
10(3)344
Reaxy-Rn
508117
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508117&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
ClasseBenzene and substituted derivatives
SubclassBenzonitriles
Intermediate Tree Nodes Not available
Direct ParentBenzonitriles
Alternative Parents Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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.

8 results found

Lot NumberCertificate TypeDateArticle
D2101388Certificate of AnalysisJan 13, 2025 M111093
D2101389Certificate of AnalysisJan 13, 2025 M111093
D2101427Certificate of AnalysisJan 13, 2025 M111093
I1923076Certificate of AnalysisJul 10, 2023 M111093
B2209269Certificate of AnalysisJan 08, 2022 M111093
B2209270Certificate of AnalysisJan 08, 2022 M111093
B2209274Certificate of AnalysisJan 08, 2022 M111093
B2209509Certificate of AnalysisJan 08, 2022 M111093
Propriétés chimiques et physiques
SolubilitéInsoluble in water.
SensibilitéHygroscopic.
Point d'ébullition (°C)137 °C/20 mmHg
Point de fusion (°C)57-60°C
Poids moléculaire133.150 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass133.053 Da
Monoisotopic Mass133.053 Da
Topological Polar Surface Area33.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity139.000
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
FAQ et articles
Citations of This Product
Calculateurs de solution
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