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4-Nitrobenzoyl chloride - for HPLC derivatization, ≥99.0% (GC), high purity , CAS No.122-04-3

11 Citations

for HPLC derivatization

≥99%(GC)

CAS#: 122-04-3
Molecular Weight: 185.56
Beilstein Registry Number: 473192
EC Number: 204-517-4
MDL number: MFCD00007345
PubChem CID: 8502

In stock

Item Number

N106145

Grouped product items
SKU	Size	Availability	Price
N106145-25g	25g	3	$91.90
N106145-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$271.90
N106145-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,049.90

Basic Description

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
Specifications & Purity	for HPLC derivatization, ≥99%(GC)
Biochemical and Physiological Mechanisms	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
Storage Temp	Store at 2-8°C,Argon charged,Desiccated
Shipped In	Wet ice
Grade	for HPLC derivatization
Product Description	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

AI Insight

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-nitrobenzoyl chloride
INCHI	InChI=1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H
InChi Key	SKDHHIUENRGTHK-UHFFFAOYSA-N
Canonical SMILES	C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]
WGK Germany	2
RTECS	DM6651000
PubChem CID	8502
UN Number	1759
Packing Group	I
Molecular Weight	185.56
Beilstein	473192

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 Number	Certificate Type	Date	Item
J2410711	Certificate of Analysis	Oct 15, 2024	N106145
I2320326	Certificate of Analysis	Aug 15, 2024	N106145
A2206182	Certificate of Analysis	Oct 07, 2023	N106145
A2206180	Certificate of Analysis	Oct 07, 2023	N106145
C2226650	Certificate of Analysis	Apr 21, 2022	N106145
E2006064	Certificate of Analysis	Feb 22, 2022	N106145

Chemical and Physical Properties

Solubility	Soluble in terahydrofuran, dichloromethane, chloroform and pyridine.
Sensitivity	Hygroscopic.
Flash Point(°F)	215.6 °F - closed cup
Flash Point(°C)	102℃
Boil Point(°C)	202-205°C（14kPa）
Melt Point(°C)	73°C
Molecular Weight	185.560 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	184.988 Da
Monoisotopic Mass	184.988 Da
Topological Polar Surface Area	62.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193.000
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

Safety and Hazards(GHS)

Pictogram(s)	GHS08, GHS05
Signal	Danger
Hazard Statements	H314: Causes severe skin burns and eye damage H290: May be corrosive to metals
Precautionary Statements	P280: Wear protective gloves/protective clothing/eye protection/face protection. P321: Specific treatment (see ... on this label). P405: Store locked up. P501: Dispose of contents/container to ... P264: Wash hands [and …] thoroughly after handling. P260: Do not breathe dust/fume/gas/mist/vapors/spray. P301+P330+P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing. P363: Wash contaminated clothing before reuse. P305+P354+P338: IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P302+P361+P354: IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes. P316: Get emergency medical help immediately.
WGK Germany	2
RTECS	DM6651000
Class	8
Merck Index	6589

Specifications

Specification Sheet

Citations of This Product

How to Cite Aladdin Scientific Products?

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, 179 (111558). [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, 220 (109262). [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, 8 (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, 196 (122482). [PMID:] [10.1016/j.polymer.2020.122482]
8. Zhongda Wu, Yanting Du, Quan Zhou, Lianqing Chen. (2020) 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, 163 (51). [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, 108 (10). [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]

References

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, 179 (111558). [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, 220 (109262). [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, 8 (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, 196 (122482). [PMID:] [10.1016/j.polymer.2020.122482]
8. Zhongda Wu, Yanting Du, Quan Zhou, Lianqing Chen. (2020) 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, 163 (51). [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, 108 (10). [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]

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