2-Cyanobenzoic acid - ≥95% , CAS No.3839-22-3

CAS: 3839-22-3 Cat. No.: C170055 Formula: C8H5NO2 Peso molecolare: 147.13 Numero EC: 675-699-4
Disponibile su ordine
GRADE & PURITY ≥95%
Synonyms
MFCD00045796 | Benzoic acid, 2-cyano- | 2-Cyanobenzoic acid | 2-cyano-benzoic acid | NSC193443 | NSC-193443 | 2-Cyanobenzoic acid, technical grade | A22626 | AKOS000275074 | SCHEMBL180853 | o-Carboxybenzonitrile | 2-CyanobenzoicAcid | J-509206 | EN300-505
Storage
Room temperature
Shipped In
Normal
★
Size
Germania (EU)
USA*
Price
Qty
1g
C170055-1g
—
3 Disponibile

9,46€

14,66€
Salva 5,21 € (35.50%)
5g
C170055-5g
—
3 Disponibile

33,76€

51,11€
Salva 17,35 € (33.96%)
25g
C170055-25g
—
3 Disponibile

129,21€

194,29€
Salva 65,08 € (33.50%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature 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.

Panoramica

2-Cyanobenzoic acid can be prepared from phthalic anhydride. Mass spectrophotometry, NMR, IR are extremely useful techniques to determine the ring-chain tautomeric equilibrium of 2-cyanobenzoic acid in all three phases. The standard (p° = 0.1MPa) molar enthalpy of formation of 2-cyanobenzoic acid is -(150.7 ± 2.0) kJ.mol-1.

Specifications

Sinonimi
MFCD00045796 | Benzoic acid, 2-cyano- | 2-Cyanobenzoic acid | 2-cyano-benzoic acid | NSC193443 | NSC-193443 | 2-Cyanobenzoic acid, technical grade | A22626 | AKOS000275074 | SCHEMBL180853 | o-Carboxybenzonitrile | 2-CyanobenzoicAcid | J-509206 | EN300-505
Specifiche e purezza
≥95%
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Purezza
≥95%
Nomi e identificatori
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187984
Sorrisi canonici
C1=CC=C(C(=C1)C#N)C(=O)O
IUPAC Name
2-cyanobenzoic acid
InChIKey
DTNSDCJFTHMDAK-UHFFFAOYSA-N
INCHI
1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
Isomeri SMILES
C1=CC=C(C(=C1)C#N)C(=O)O
WGK Germania
3
Peso molecolare
147.13
Reaxy-Rn
1865061
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1865061&ln=

Documentazione

📋 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
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acids
Alternative Parents Benzoyl derivatives  Benzonitriles  Nitriles  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzoic acid - Benzonitrile - Benzoyl - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
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 TypeDataOggetto
C23171039Certificate of AnalysisJan 09, 2023 C170055
C23171044Certificate of AnalysisJan 09, 2023 C170055
C2318434Certificate of AnalysisJan 09, 2023 C170055
C2318435Certificate of AnalysisJan 09, 2023 C170055
C2318438Certificate of AnalysisJan 09, 2023 C170055
C2318440Certificate of AnalysisJan 09, 2023 C170055
C2515029Certificate of AnalysisJan 09, 2023 C170055
Proprietà chimiche e fisiche
Punto di fusione (°C)210-212°C
Peso molecolare147.130 g/mol
XLogP31.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass147.032 Da
Monoisotopic Mass147.032 Da
Topological Polar Surface Area61.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity203.000
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
Calcolatori di soluzioni
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