4-Hidroxibenzonitrilo - norma analítica , CAS No.767-00-0

CAS: 767-00-0 Cat. No.: H115123 Peso molecular: 119.12 Beilstein Registry Number: 386130 Número EC: 212-175-2
Disponible para pedir
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
F0001-1958 | Q27117923 | 4-Cyanophenol | 4-cyano-phenol | 4-hydroxybezonitrile | AKOS000118747 | EINECS 212-175-2 | 4-hydroxycyanobenzene | p-Hydroxybenzonitrile | p-hydroxy-benzonitrile | p-hydroxybenzo-nitrile | BCP27582 | Z104473840 | CYANOPHENOL, P- |
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
H115123-250mg
2

52,90US$

69,90US$
Guardar 17,00 US$ (24.32%)
500mg
H115123-500mg
3

104,90US$

124,90US$
Guardar 20,00 US$ (16.01%)
1g
H115123-1g
3

188,90US$

220,90US$
Guardar 32,00 US$ (14.49%)
5g
H115123-5g
3

745,90US$

967,90US$
Guardar 222,00 US$ (22.94%)
25g
H115123-25g
3

3.342,90US$

4.334,90US$
Guardar 992,00 US$ (22.88%)
Enter a quantity for the sizes you want to add.
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Why this grade

norma analítica Analytical standard 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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
F0001-1958 | Q27117923 | 4-Cyanophenol | 4-cyano-phenol | 4-hydroxybezonitrile | AKOS000118747 | EINECS 212-175-2 | 4-hydroxycyanobenzene | p-Hydroxybenzonitrile | p-hydroxy-benzonitrile | p-hydroxybenzo-nitrile | BCP27582 | Z104473840 | CYANOPHENOL, P- |
Especificaciones y pureza
norma analítica
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Grado
Analytical standard
Nombres e identificadores
Sonrisas canónicasC1=CC(=CC=C1C#N)O
IUPAC Name4-hydroxybenzonitrile
InChIKeyCVNOWLNNPYYEOH-UHFFFAOYSA-N
INCHI1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
Isómeros SMILES C1=CC(=CC=C1C#N)O
WGK Alemania 3
RTECS DI4375000
Peso molecular 119.12
Beilstein 386130
Reaxy-Rn 386130
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386130&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
ClaseBenzene and substituted derivatives
SubclassBenzonitriles
Intermediate Tree Nodes Not available
Direct ParentBenzonitriles
Alternative Parents 1-hydroxy-2-unsubstituted benzenoids  Nitriles  Organopnictogen compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors phenols
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CA2 Tclin Carbonic anhydrase 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA3 Tclin Carbonic anhydrase III (753 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA6 Tclin Carbonic anhydrase VI (993 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5B Tclin Carbonic anhydrase VB (957 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5A Tclin Carbonic anhydrase VA (1168 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA14 Tclin Carbonic anhydrase XIV (1305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
PLA2G1B Phospholipase A2 group 1B (227 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ca7 Carbonic anhydrase VII (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ca13 Carbonic anhydrase XIII (322 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA4 Carbonic anhydrase IV (1713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L1210 (27553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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 TypeFechaArticulo
D2315360Certificate of AnalysisJan 16, 2025 H115123
C23181127Certificate of AnalysisDec 13, 2024 H115123
C23181126Certificate of AnalysisDec 13, 2024 H115123
C23181120Certificate of AnalysisDec 13, 2024 H115123
C23181121Certificate of AnalysisDec 05, 2024 H115123
F1515041Certificate of AnalysisNov 10, 2022 H115123
Propiedades químicas y físicas
Punto de ebullición (°C)145°C
Punto de fusión (°C)110°C-113°C
Peso molecular119.120 g/mol
XLogP31.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass119.037 Da
Monoisotopic Mass119.037 Da
Topological Polar Surface Area44.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity127.000
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
Citations of This Product
Referencias
1. Lei Yuan, Leihao Zhang, Guilin Li, Shaojuan Zeng, Qizhou Xue, Chongyang Jiang, Xiangping Zhang.  (2023)  Phenoxy-Nitrile Bifunctional Ionic Liquid for Efficient Electroreduction of CO2 to Oxalate.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c02876]
2. Biao Yang, Xinbo Yang, Yuchuan Li, Siping Pang.  (2023)  The Design, Synthesis and Application of Nitrogen Heteropolycyclic Compounds with UV Resistance Properties.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  24  (9): (7882).  [PMID:37175588] [10.3390/ijms24097882]
3. Shuai Zhang, Qiusha Li, Jiajia Ye, Hongyi Sun, Xiaobo Liu.  (2022)  Probing the copolymerization of alkynyl and cyano groups using monocyclic benzoxazine as model compound.  POLYMER,      [PMID:] [10.1016/j.polymer.2022.124932]
4. Bingbing Leng, Jiayu Yang, Chunhui Zhu, Zhipeng Wang, Chengying Shi, Yang Liu, Hongyan Zhang, Wenge Xu, Baijun Liu.  (2021)  Synthesis of a Cyclophosphazene Derivative Containing Multiple Cyano Groups for Electron-Beam Irradiated Flame-Retardant Materials.  Polymers,  13  (20): (3460).  [PMID:34685219] [10.3390/polym13203460]
5. Chun-rong Zhu, Jia-ping Xie, Hong-rong Mou, Zhen-jie Huang, Qian Tang, Cheng-bin Gong, Xiang-kai Fu.  (2019)  Dual-colored 4,4′,4′′,4′′′-(cyclobutane-1,2,3,4-tetrayl)-tetrabenzoate electrochromic materials with large optical contrast and coloration efficiency.  NEW JOURNAL OF CHEMISTRY,  43  (34): (13654-13661).  [PMID:] [10.1039/C9NJ03352A]
6. Jianqiang Zhao, Yuyun Liu, Yanlei Yu.  (2014)  Dual-responsive inverse opal films based on a crosslinked liquid crystal polymer containing azobenzene.  Journal of Materials Chemistry C,  (48): (10262-10267).  [PMID:] [10.1039/C4TC01825G]
7. Jie Chen, Huiyao Huang, Wangquan Gong, Yi Chen, Rong Dong, Limei Ren, Ting Qiu.  (2024)  Fine-Tuning Electron–Donor Capability in the Basic Anion of Poly(ionic liquid) Frameworks for Revolutionizing Catalytic Synthesis of Ethyl Methyl Carbonate with Both Ultrahigh Catalytic Activity and Selectivity.  LANGMUIR,      [PMID:38623907] [10.1021/acs.langmuir.4c00650]
8. Li Zhigang, Liu Xuzhuo, Wang Chunlong, Song Hanbing, Zhang Jie.  (2024)  Synthesis of novel photothermal nanomaterial ZnSe-PAM@1 and its treatment of knee osteoarthritis cells.  CHEMICAL PAPERS,  78  (14): (7943-7950).  [PMID:] [10.1007/s11696-024-03646-5]
9. Ge-liang Xie, Yang Cao, Sheng-ren Li, Qian-qian Lu, Wei Chen, Shuai Gao, Wei Qiu, Chao He, Zhen Fang, Lujiang Xu.  (2025)  BDE-Driven Sustainable Synthesis of Lignin-Derived Hydroxybenzonitriles via Tandem Green Cyanation and Gas-Phase Hydrodeoxygenation.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c04554]
10. Junqin Liu, Pingxiao Wu, ShanShan Yang, Saeed Rehman, Zubair Ahmed, Nengwu Zhu, Zhi Dang, Zehua Liu.  (2019)  A photo-switch for peroxydisulfate non-radical/radical activation over layered CuFe oxide: Rational degradation pathway choice for pollutants.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2019.118232]
11. Ganchang Lei, Jiayin Wang, Xinhui Liu, Shiping Wang, Lijuan Shen, Shijing Liang, Yingying Zhan, Lilong Jiang.  (2025)  Atom-Economical Insertion of Hydrogen and Sulfur into Carbon-Nitrogen Triple Bonds Using H2S via Synergistic C-N Sites.  EES Catalysis,      [PMID:] [10.1039/D5EY00110B]
12. Huanxin Ma, Yalan Chen, Yue Wang, Chunhua Feng, Zhi Dang, Shishu Zhu, Ke Sun.  (2025)  Synergistic Photochemistry of Dissolved Black Carbon Mediated by Iron: A Critical Pathway for Enhancing Hydroxyl Radical Generation.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:41195526] [10.1021/acs.est.5c10858]
13. Dachuan Zhang, Ni Yang, Yang Zhou, Haomin Yu, Jingning Cao, Minghao Wang, Si Wu.  (2025)  Visible-light-responsive gels with long-lasting functions via combining metallopolymers and coordination solvents with reduced volatilization.  Polymer Chemistry,      [PMID:] [10.1039/D5PY01126D]
14. Han Qu, Guofei Li, Zhiwen Cheng, Wanji Zhou, Chao Zhang.  (2026)  Highly efficient lithium separation from sodium-rich mother liquor enabled by novel phenylazophenol derivatives.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2026.110119]
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