4-Nitrobenzoyl chloride - for HPLC derivatization, ≥99%(GC) , CAS No.122-04-3

CAS: 122-04-3 Cat. No.: N106145 Peso molecular: 185.56 Beilstein Registry Number: 473192 Número EC: 204-517-4
Disponible para pedir
GRADE & PURITY for HPLC derivatization ? HPLC-derivatization grade — reagents to tag analytes for sensitive HPLC detection. Use to add chromophores/fluorophores improving HPLC response. ≥99%(GC)
Synonyms
4-nitro benzoyl chloride | 4-nitrobenzoyi chloride | NSC5381 | NSC-5381 | SCHEMBL43141 | A804833 | EC 204-517-4 | X3H8PW2GC4 | CAS-122-04-3 | EN300-18044 | 4-Nitrobenzoyl chloride, 98% | Nitrobenzoyl chloride, 4- | 4-Nitrobenzoic acid chloride | NSC 5381
Storage
Store at 2-8°C,Argon charged,Desiccated
Shipped In
Wet ice,FedEx DG Service
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
25g
N106145-25g
3
51,90US$
100g
N106145-100g
3
141,90US$
500g
N106145-500g
2
427,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

for HPLC derivatization, ≥99%(GC) for HPLC derivatization for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged,Desiccated Ships Wet ice,FedEx DG Service 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 17 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

4-Nitrobenzoyl chloride reacts with triphenylphosphonium salt to synthesize benzofurans (potential positron emission tomography (PET) tracers) by the intramolecular Wittig reaction.It has been used for the derivatisation of Adiol (Androstenediol, an endogenous proliferation agent of prostate cancer).
Derivatization of hydroxy groups for HPLC

Specifications

Sinónimos
4-nitro benzoyl chloride | 4-nitrobenzoyi chloride | NSC5381 | NSC-5381 | SCHEMBL43141 | A804833 | EC 204-517-4 | X3H8PW2GC4 | CAS-122-04-3 | EN300-18044 | 4-Nitrobenzoyl chloride, 98% | Nitrobenzoyl chloride, 4- | 4-Nitrobenzoic acid chloride | NSC 5381
Especificaciones y pureza
for HPLC derivatization, ≥99%(GC)
Mecanismos bioquímicos y fisiológicos
4-Nitrobenzoyl chloride reacts with triphenylphosphonium salt to synthesize benzofurans (potential positron emission tomography (PET) tracers) by the intramolecular Wittig reaction.It has been used for the derivatisation of Adiol (Androstenediol, an endog
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged, Desiccated
Enviado en
Wet ice, FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
for HPLC derivatization
Pureza
≥99%(GC)
Nombres e identificadores
Sonrisas canónicasC1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]
IUPAC Name4-nitrobenzoyl chloride
InChIKeySKDHHIUENRGTHK-UHFFFAOYSA-N
INCHI1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H
Isómeros SMILES C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]
WGK Alemania 2
RTECS DM6651000
Número ONU 1759
Grupo de embalaje I
Peso molecular 185.56
Beilstein 473192
Reaxy-Rn 473192
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473192&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
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents Benzoic acids and derivatives  Nitroaromatic compounds  Benzoyl derivatives  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Acyl chlorides  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - C-nitro compound - Organic nitro compound - Acyl chloride - Acyl halide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Rattus norvegicus (775804 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.

7 results found

Lot NumberCertificate TypeFechaArticulo
E2006064Certificate of AnalysisJan 07, 2026 N106145
F2527023Certificate of AnalysisJul 02, 2025 N106145
I2320326Certificate of AnalysisJun 10, 2025 N106145
A2206180Certificate of AnalysisJun 10, 2025 N106145
J2410711Certificate of AnalysisOct 15, 2024 N106145
A2206182Certificate of AnalysisOct 07, 2023 N106145
C2226650Certificate of AnalysisApr 21, 2022 N106145
Propiedades químicas y físicas
SolubilidadSoluble in terahydrofuran, dichloromethane, chloroform and pyridine.
SensibilidadHygroscopic.
Punto de inflamación (°F)215.6 °F - closed cup
Punto de inflamación (°C)102℃
Punto de ebullición (°C)202-205°C(14kPa)
Punto de fusión (°C)73°C
Peso molecular185.560 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass184.988 Da
Monoisotopic Mass184.988 Da
Topological Polar Surface Area62.900 Ų
Heavy Atom Count12
Formal Charge0
Complexity193.000
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
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Jing Ye, Qinghua Li, Yushan Zhang, Qi Su, Zujian Feng, Pingsheng Huang, Chuangnian Zhang, Yinglei Zhai, Weiwei Wang.  (2023)  ROS scavenging and immunoregulative EGCG@Cerium complex loaded in antibacterial polyethylene glycol-chitosan hydrogel dressing for skin wound healing.  Acta Biomaterialia,      [PMID:37230435] [10.1016/j.actbio.2023.05.027]
2. Ge Zhu, Haoji Lao, Feng Feng, Minyan Wang, Xingzhong Fang, Guofei Chen.  (2022)  Synthesis and characterization of poly(amide-imide)s with high Tg and low CTE derived from isomeric amide-containing diamines.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2022.111558]
3. Shengdao Wang, Shuwen Zhang, Yanchao Yang, Zhongxin Dong, Guibin Wang.  (2022)  Direct electrochemical grafting of crystalline PAEK macromolecule on carbon fiber to enhance the interfacial properties of PEEK/CF composites.  COMPOSITES SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.compscitech.2022.109262]
4. Guangtao Qian, Fengna Dai, Haiquan Chen, Mengxia Wang, Mengjie Hu, Chunhai Chen, Youhai Yu.  (2021)  Polyimides with low coefficient of thermal expansion derived from diamines containing benzimidazole and amide: Synthesis, properties, and the N-substitution effect.  JOURNAL OF POLYMER SCIENCE,  59  (6): (510-518).  [PMID:] [10.1002/pol.20200879]
5. Guangtao Qian, Fengna Dai, Haiquan Chen, Mengxia Wang, Mengjie Hu, Chunhai Chen, Youhai Yu.  (2021)  Incorporation of N-phenyl in poly(benzimidazole imide)s and improvement in H2O-absorbtion and transparency.  RSC Advances,  11  (6): (3770-3776).  [PMID:35424274] [10.1039/D0RA10138A]
6. Shuangxiong Dai, Yudai Zhou, Haoli Zhang, Zhengxu Cai, Bin Tong, Jianbing Shi, Yuping Dong.  (2020)  Turn-on and color-switchable red luminescent liquid crystals based on pyrrolopyrrole derivatives.  Journal of Materials Chemistry C,  (32): (11177-11184).  [PMID:] [10.1039/D0TC01902J]
7. Guangtao Qian, Haiquan Chen, Guangliang Song, Fengna Dai, Chunhai Chen, Jianan Yao.  (2020)  Superheat-resistant polyimides with ultra-low coefficients of thermal expansion.  POLYMER,      [PMID:] [10.1016/j.polymer.2020.122482]
8. Zhongda Wu, Yanting Du, Quan Zhou, Lianqing Chen.  (2019)  One pot solvothermal synthesis of novel fluorescent phloem-mobile phenylpyrazole amide pesticides fused olefin moieties to enhance insecticidal bioactivities and photodegradation properties.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:31973870] [10.1016/j.pestbp.2019.10.003]
9. Yanhua Yang, Hang Lu, Juqing Liu, Yingzhong Shen.  (2018)  Synthesis and binary/ternary write-once read-many-times electrical memory behaviors of carbazole-based polyimides bearing flexible linkage segment.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2018.08.009]
10. Bo Jiang, Tong Zhang, Liwei Zhao, Zhiming Xu, Yudong Huang.  (2017)  Effect of Polymerizable Photoinitiators on the UV-polymerization behaviors of photosensitive polysiloxane.  JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,  55  (10): (1696-1705).  [PMID:] [10.1002/pola.28533]
11. Tianfu Wei, Gongke Li, Zhuomin Zhang.  (2017)  Rapid determination of trace semicarbazide in flour products by high-performance liquid chromatography based on a nucleophilic substitution reaction.  JOURNAL OF SEPARATION SCIENCE,  40  (9): (1993-2001).  [PMID:28244190] [10.1002/jssc.201700045]
12. Dongpeng Li, Zhao Ke, Ke Xu, Tao Li, Dandan Li, Wei Wang, Guangtao Qian, Chunhai Chen.  (2024)  Effect of benzene side groups on polyimide membranes containing spiro-bis-benzimidazole scaffold structures for gas separation.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127764]
13. Xian Qin, Li Zhu, Xuan An, Cheng Zhang, Jiawei Li, Fei Yan, Wenjin Zhang, Kai Qu, Kun Zhang, Wei Wu, Guicheng Wu.  (2024)  Hybrid cell membranes camouflaged copper-loaded nano-prodrug for tumor angiogenesis inhibition and cell cuproptosis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152323]
14. Jingjiao Xie, Huiyuan Gong, Zhihan Du, Chen Hong, Wen Luo.  (2025)  Novel flavone-based near-infrared fluorescent probe for the detection of H2S in vitro and in vivo.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:40934561] [10.1016/j.saa.2025.126918]
15. Lei Yang, Jinglei Xing, Xingzhong Fang, Guofei Chen.  (2025)  Transparent polyamide-imides containing fluorene groups with high glass transition temperature and good dimensional stability.  Materials Today Communications,      [PMID:] [10.1016/j.mtcomm.2025.113215]
16. Tong Gong, Yan Jin, Hongmei Zhu, Zeying Cheng, Hong Fang, Ning Xu, Fanting Zhao, Yingqian Liu, Peng Chen.  (2026)  Repurposing dronedarone for colorectal cancer therapeutic via suppression of the AKT/ERK signaling pathways.  BIOCHEMICAL PHARMACOLOGY,      [PMID:41548816] [10.1016/j.bcp.2026.117715]
17. Jie Liu, Li Xiang, Jiang Xu, Qian Jiang, Jiahao Deng, Jin Wang, Jun Yang, Anlian Pan.  (2026)  Synergistic regulation of the thermal–optical properties of polyimides via amide bonds and trifluoromethyl groups: from molecular design to flexible CNT TFT application.  Polymer Chemistry,      [PMID:] [10.1039/D5PY01051A]
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