4-(Hydroxymethyl)benzonitrile - ≥97% , CAS No.874-89-5

CAS: 874-89-5 Cat. No.: H124046 Molecular Weight: 133.15 Beilstein Registry Number: 2206193 EC Number: 628-080-8
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
A23220 | DTXSID90236331 | 4-hydroxymethylbenzonitrile | 4-Hydroxymethyl-benzonitrile | AKOS000249162 | CCRIS 5116 | SY025114 | F0001-0101 | 4-(Hydroxymethyl)benzonitrile | 4-(hydroxymethyl)-benzonitrile | 4(hydroxymethyl)-benzonitrile | 4-cyanobenzenemeth
Storage
Room temperature
Shipped In
Normal
Size
Status
Price
Qty
250mg
H124046-250mg
4

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1g
H124046-1g
10

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5g
H124046-5g
1

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10g
H124046-10g
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25g
H124046-25g
1

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100g
H124046-100g
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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.

Overview

Product Describtion:

4-(Hydroxymethyl)benzonitrile can be synthesized via hydrosilylation reaction in the presence of Fe complex Bu4N[Fe(CO)3(NO)] [catalyst]. It can also be prepared from 4-(aminomethyl) benzyl alcohol.


Product Application:

4-(Hydroxymethyl)benzonitrile [p-(hydroxymethyl)benzonitrile] may be used to synthesize p-((vinyloxy)methyl)benzonitrile (VOMBN).

Specifications

Synonyms
A23220 | DTXSID90236331 | 4-hydroxymethylbenzonitrile | 4-Hydroxymethyl-benzonitrile | AKOS000249162 | CCRIS 5116 | SY025114 | F0001-0101 | 4-(Hydroxymethyl)benzonitrile | 4-(hydroxymethyl)-benzonitrile | 4(hydroxymethyl)-benzonitrile | 4-cyanobenzenemeth
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488188318
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488188318
Canonical SmilesC1=CC(=CC=C1CO)C#N
IUPAC Name4-(hydroxymethyl)benzonitrile
InChIKeyXAASLEJRGFPHEV-UHFFFAOYSA-N
INCHI1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2
Isomeric SMILES C1=CC(=CC=C1CO)C#N
WGK Germany 3
Molecular Weight 133.15
Beilstein 2206193
Reaxy-Rn 2206193
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206193&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
ClassBenzene and substituted derivatives
SubclassBenzyl alcohols
Intermediate Tree Nodes Not available
Direct ParentBenzyl alcohols
Alternative Parents Benzonitriles  Nitriles  Primary alcohols  Organopnictogen compounds  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzyl alcohol - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

6 results found

Lot NumberCertificate TypeDateItem
A2626032Certificate of AnalysisFeb 06, 2026 H124046
C2222019Certificate of AnalysisJan 19, 2026 H124046
H1930149Certificate of AnalysisJun 09, 2023 H124046
G2320116Certificate of AnalysisMay 08, 2023 H124046
I1515206Certificate of AnalysisMay 08, 2023 H124046
D2314491Certificate of AnalysisMar 25, 2022 H124046
Chemical and Physical Properties
SolubilityInsoluble in water.
Flash Point(°F)230 °F
Flash Point(°C)110 °C
Melt Point(°C)39-43°C
Molecular Weight133.150 g/mol
XLogP31.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass133.053 Da
Monoisotopic Mass133.053 Da
Topological Polar Surface Area44.000 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
Solution Calculators
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