基本描述

别名	对硝基苯甲酰氯
英文别名	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
规格或纯度	用于HPLC衍生化, ≥99%(GC)
英文名称	4-Nitrobenzoyl chloride
生化机理	4-Nitrobenzoyl chloride 与三苯基膦盐反应，通过分子内 Wittig 反应合成苯并呋喃（潜在的正电子发射断层扫描 (PET) 示踪剂）。
应用	HPLC中羟基基团的衍生化
储存温度	2-8°C储存,充氩,干燥
运输条件	冰袋运输
产品介绍	溶于乙醚，遇水和乙醇分解。易吸潮。HPLC中羟基基团的衍生化 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

关联靶点（人）

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 活性数据)

点击查看靶蛋白信息： ALDH1A1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Rattus norvegicus (775804 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

EC号	204-517-4
分子类型	小分子
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
分子量	185.56
Beilstein号	473192

化学和物理性质

溶解性	溶于四氢呋喃、二氯甲烷、氯仿和吡啶。
密度	1.453
敏感性	易吸潮
闪点(℉)	215.6 °F - closed cup
闪点(℃)	102℃
沸点	202-205°C（14kPa）
熔点	73°C
分子量	185.560 g/mol
XLogP3	2.900
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	3
可旋转键计数Rotatable Bond Count	1
精确质量Exact Mass	184.988 Da
单同位素质量Monoisotopic Mass	184.988 Da
拓扑极表面积Topological Polar Surface Area	62.900 Å²
重原子数Heavy Atom Count	12
形式电荷Formal Charge	0
复杂度Complexity	193.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

一般危化品	一般危化品
象形图	GHS08, GHS05
信号词	Danger
危险声明	H314: 造成严重的皮肤灼伤和眼睛损伤 H290: 可能腐蚀金属
预防措施声明	P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P321: 特殊处理（请参阅此标签上的...）。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P301+P330+P331: 如误吞咽：漱口。不要诱导呕吐。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P363: 再次使用之前，请清洗受污染的衣物。 P305+P354+P338: 如果进入眼睛：立即用水冲洗几分钟。取下隐形眼镜（如果有的话），并且操作简单。继续冲洗。 P302+P361+P354: 如果接触皮肤：立即脱掉所有被污染的衣服。立即用水冲洗几分钟。 P316: 立即寻求紧急医疗救助。
WGK Germany	2
RTECS	DM6651000
Class	8
Merck Index	6589
个人防护装备	Eyeshields,Faceshields,full-face particle respirator type N100 (US),Gloves,respirator cartridge type N100 (US),type P1 (EN143) respirator filter,type P3 (EN 143) respirator cartridges

SDS英文版

质量标准

Melting point	71-75（℃）
Purity(GC)	99-100（%）
Free carboxylic acid (carbonic acid)	0-0.5（%）
Purity(Titration)	99-101（%）
Appearance（N106145)	yellow solid
Infrared spectrum	Conforms to Structure
Solubility in toluene(heat)	100 mg/ml,Clear
Residue on Ignition	0-0.05（%）

质量标准

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

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找到6个结果

批号(Lot Number)	证书类型	日期	货号
J2410711	分析证书	24-10-15	N106145
I2320326	分析证书	24-08-15	N106145
A2206180	分析证书	23-10-07	N106145
A2206182	分析证书	23-10-07	N106145
C2226650	分析证书	22-04-21	N106145
E2006064	分析证书	22-02-22	N106145

此产品的引用文献

如何在您的发表作品中引用阿拉丁的产品和网站?

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). [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). [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). [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). [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). [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). [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). [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]

参考文献

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). [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). [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). [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). [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). [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). [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). [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]

溶液计算器

摩尔浓度计算器

计算溶液所需的质量、体积或浓度。

质量

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浓度

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分子量

g/mol

稀释计算器

计算配制储备溶液所需的稀释度。

浓度1（C1）

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复溶计算器

复溶计算器允许您快速计算试剂的体积，以复溶小瓶。只需输入试剂的质量和目标浓度，计算器将确定其余部分。

体积（添加到小瓶中）

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质量（小瓶）

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所需的复溶浓度

货号 (SKU)	包装规格	是否现货
N106145-25g	25g	现货
N106145-100g	100g	现货
N106145-500g	500g	现货

4-硝基苯甲酰氯

库存信息

库存信息

库存信息

基本描述

关联靶点（人）

关联靶点（其它种属）

作用机制

名称和识别符

化学和物理性质

安全和危险性（GHS）

质量标准

质检证书（CoA,COO,BSE/TSE 和分析图谱)

此产品的引用文献

参考文献

溶液计算器

摩尔浓度计算器

稀释计算器

复溶计算器