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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(Cyanomethyl)benzoic acid - ≥97% , CAS No.50685-26-2
Synonyms
SCHEMBL211305 | PS-3928 | DTXSID60297095 | 4-cyanomethylbenzoic acid | 4-cyanomethyl-benzoic acid | MFCD00020382 | 4-(cyanomethyl) benzoic acid | Benzoic acid,4-(cyanomethyl)- | CL9207 | J-650087 | NSC113990 | NSC-113990 | Benzoic acid, 4-(cyanomethyl)- |
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Why this grade ≥97% 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
SCHEMBL211305 | PS-3928 | DTXSID60297095 | 4-cyanomethylbenzoic acid | 4-cyanomethyl-benzoic acid | MFCD00020382 | 4-(cyanomethyl) benzoic acid | Benzoic acid, 4-(cyanomethyl)- | CL9207 | J-650087 | NSC113990 | NSC-113990 | Benzoic acid, 4-(cyanomethyl)- |
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488189185 Canonical Smiles C1=CC(=CC=C1CC#N)C(=O)O IUPAC Name 4-(cyanomethyl)benzoic acid InChIKey RSGBXCFAYHOKQZ-UHFFFAOYSA-N INCHI 1S/C9H7NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5H2,(H,11,12) Isomeric SMILES C1=CC(=CC=C1CC#N)C(=O)O Molecular Weight 161.2 Reaxy-Rn 2439099 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2439099&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 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Boil Point(°C) 361.6°C at 760 mmHg Molecular Weight 161.160 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 161.048 Da Monoisotopic Mass 161.048 Da Topological Polar Surface Area 61.100 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 208.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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Reconstitution Calculator Reviews Related Products Methyl 4-(cyanomethyl)benzoate - ≥96% , CAS No.76469-88-0
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