3-Nitroaniline - ≥98% , CAS No.99-09-2

CAS: 99-09-2 Cat. No.: N103977 Formula: C6H6N2O2 Peso molecolare: 138.13 Beilstein Registry Number: 636962 Numero EC: 202-729-1
Disponibile su ordine
GRADE & PURITY ≥98%
Synonyms
NCGC00091126-02 | 3-Nitroaniline | 3-NITRO-ANILINE | 3-Nitrophenylamine | 3-Nitro-phenylamine | MLS002415745 | N0117 | Devol Orange R | Fast Orange R Salt | C.I. 37030 | Tox21_200386 | HSDB 2570 | MLS000517063 | CM50SM561T | M-NITROANILINE [MI] | SCHEMBL1
Storage
Protected from light,Room temperature
Shipped In
FedEx DG Service
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Size
Germania (EU)
USA*
Price
Qty
25g
N103977-25g
—
3 Disponibile
18,14€
100g
N103977-100g
—
2 Disponibile
36,36€
250g
N103977-250g
1 Disponibile
2 Disponibile
78,01€
500g
N103977-500g
Su ordinazione · 8–12 settimane
127,47€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Room temperature Ships 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 22 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
NCGC00091126-02 | 3-Nitroaniline | 3-NITRO-ANILINE | 3-Nitrophenylamine | 3-Nitro-phenylamine | MLS002415745 | N0117 | Devol Orange R | Fast Orange R Salt | C.I. 37030 | Tox21_200386 | HSDB 2570 | MLS000517063 | CM50SM561T | M-NITROANILINE [MI] | SCHEMBL1
Specifiche e purezza
≥98%
Condizioni di conservazione di stoccaggio
Protected from light,Room temperature
Spedito in
FedEx DG Service
Purezza
≥98%
Nomi e identificatori
Pubchem Sid504751339
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751339
Sorrisi canoniciC1=CC(=CC(=C1)[N+](=O)[O-])N
IUPAC Name3-nitroaniline
InChIKeyXJCVRTZCHMZPBD-UHFFFAOYSA-N
INCHI1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
Isomeri SMILES C1=CC(=CC(=C1)[N+](=O)[O-])N
WGK Germania 2
RTECS BY6825000
Numero UN 1661
Gruppo di imballaggio II
Peso molecolare 138.13
Beilstein 636962
Reaxy-Rn 636962
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636962&ln=

Documentazione

📋 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
ClasseBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents Nitroaromatic compounds  Aniline and substituted anilines  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Primary amines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





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Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
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.

10 results found

Lot NumberCertificate TypeDataOggetto
K2513035Certificate of AnalysisNov 24, 2025 N103977
L2102630Certificate of AnalysisSep 09, 2025 N103977
L2102631Certificate of AnalysisSep 09, 2025 N103977
A2423025Certificate of AnalysisOct 19, 2021 N103977
B2317482Certificate of AnalysisOct 19, 2021 N103977
C2303203Certificate of AnalysisOct 19, 2021 N103977
C2303205Certificate of AnalysisOct 19, 2021 N103977
D2321452Certificate of AnalysisOct 19, 2021 N103977
J2210285Certificate of AnalysisOct 19, 2021 N103977
L2420080Certificate of AnalysisOct 19, 2021 N103977
Proprietà chimiche e fisiche
SolubilitàInsoluble in water; Degree of Solubility in water: 0.89 g/l 25 °C; Soluble in Ether,Acetone,Alcohol
SensibilitàLight sensitive.
Punto di infiammabilità (°F)384.8 °F
Punto di infiammabilità (°C)196 °C
Punto di ebollizione (°C)306℃
Punto di fusione (°C)112-114℃
Peso molecolare138.120 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass138.043 Da
Monoisotopic Mass138.043 Da
Topological Polar Surface Area71.800 Ų
Heavy Atom Count10
Formal Charge0
Complexity132.000
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
Riferimenti
1. Chen Zhong, Hongbin Cao, Qingguo Huang, Yongbing Xie, He Zhao.  (2023)  Degradation of Sulfamethoxazole by Manganese(IV) Oxide in the Presence of Humic Acid: Role of Stabilized Semiquinone Radicals.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:37650769] [10.1021/acs.est.3c03698]
2. Jiale Wu, Liguo Wang, Shuang Xu, Yan Cao, Ziqiang Han, Huiquan Li.  (2023)  Sequential hydrogenation of nitroaromatics to alicyclic amines via highly-dispersed Ru–Pd nanoparticles anchored on air-exfoliated C3N4 nanosheets.  RSC Advances,  13  (3): (2024-2035).  [PMID:36712606] [10.1039/D2RA07612H]
3. Lihua Zhu, Huan Zhang, Huaze Zhu, Huan Fu, Anna Kroner, Zhiqing Yang, Hengqiang Ye, Bing Hui Chen, Rafael Luque.  (2022)  Controlling nanostructures of PtNiCo/C trimetallic nanocatalysts and relationship of structure-catalytic performance for selective hydrogenation of nitroarenes.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2022.08.012]
4. Hui Ma, Dan Luo, Qi Zhao, Rui Liu, Zhenzhou Zhang, Xianglin Hou, Xiaohuan Sun, Yingxiong Wang.  (2021)  Crown ether and crown ether/K+ complex assisted DOSY NMR: A versatile tool for positional isomers identification in aqueous solution.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2021.117884]
5. Qiao-Ling Mo, Xin Lin, Zhi-Quan Wei, Xiao-Cheng Dai, Shuo Hou, Tao Li, Fang-Xing Xiao.  (2020)  All-in-one: branched macromolecule-protected metal nanocrystals as integrated charge separation/motion centers for enhanced photocatalytic selective organic transformations.  Journal of Materials Chemistry A,  8  (32): (16392-16404).  [PMID:] [10.1039/D0TA05297C]
6. Shuai Xu, Ming-Hui Huang, Tao Li, Zhi-Quan Wei, Xin Lin, Xiao-Cheng Dai, Shuo Hou, Xiao-Yan Fu, Fang-Xing Xiao.  (2020)  Modulating charge migration in photoredox organic transformation via exquisite interface engineering.  Journal of Materials Chemistry A,  8  (17): (8360-8375).  [PMID:] [10.1039/D0TA02122A]
7. Yujuan Cao, Song Wang, Wei Wu, Hong Peng, Ying Yu, Debin Zhu.  (2019)  Cucurbit[6]uril modified CdTe quantum dots fluorescent probe and its selective analysis of p-nitroaniline in environmental samples.  TALANTA,      [PMID:30952313] [10.1016/j.talanta.2019.02.084]
8. Kai Ma, Guofei Chen, Wei Wang, Anjiang Zhang, Yingying Zhong, Yajie Zhang, Xingzhong Fang.  (2018)  Partially bio-based aromatic polyimides derived from 2,5-furandicarboxylic acid with high thermal and mechanical properties.  JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,  56  (10): (1058-1066).  [PMID:] [10.1002/pola.28982]
9. Qiaochu Zhang, Meiling Qi, Jinliang Wang.  (2017)  Star-shaped oligothiophene-functionalized truxene materials as stationary phases for capillary gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:29061474] [10.1016/j.chroma.2017.10.028]
10. Jing-Bo Liu, Yu-Xin Li, Xiu-Lan Zhang, Xue-Wen Hua, Chang-Chun Wu, Wei Wei, Ying-Ying Wan, Dan-Dan Cheng, Li-Xia Xiong, Na Yang, Hai-Bin Song, Zheng-Ming Li.  (2016)  Novel Anthranilic Diamide Scaffolds Containing N-Substituted Phenylpyrazole as Potential Ryanodine Receptor Activators.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:27109555] [10.1021/acs.jafc.6b00380]
11. Qing Yang, Wen Su, Xinyu Jiang, Xiaoqing Chen.  (2014)  Application of vortex-assisted supramolecular solvent liquid–liquid microextraction for trace determination of nitroaniline isomers.  INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY,      [PMID:] [10.1080/03067319.2014.900676]
12. Jie Lei, Xiangmin Zhang.  (2013)  Open tubular columns with mixed-mode reversed-phase and weak anion-exchange stationary phase for capillary electrochromatography.  JOURNAL OF SEPARATION SCIENCE,  36  (12): (1996-2002).  [PMID:23589354] [10.1002/jssc.201201146]
13. Xiaoyun Lin, Yongnian Ni, Serge Kokot.  (2012)  Voltammetric analysis with the use of a novel electro-polymerised graphene-nafion film modified glassy carbon electrode: Simultaneous analysis of noxious nitroaniline isomers.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:23142057] [10.1016/j.jhazmat.2012.10.026]
14. Li Huiru, Tian Yanbo, Tan Liju, Wang Na, Qiao Yu, Wang Jiangtao.  (2024)  A double-emission molecularly imprinted ratiometric fluorescent sensor based on carbon quantum dots and fluorescein isothiocyanate for visual detection of p-nitroaniline.  MICROCHIMICA ACTA,  191  (7): (1-11).  [PMID:38850342] [10.1007/s00604-024-06466-2]
15. Tian Lan, Yue Chang, Jiaran Song, Lingxin Meng, Pengyun Zhao, Jinxuan Lei, Jingmei Xu.  (2024)  Dual synergies of functionalized hydrophilic MOFs based poly (aryl ether ketone sulfone) ultrafiltration membranes: Electrostatic action and pore size screening.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.113788]
16. Chen Peng, Chen Liping, Zhou Juan, Wu Wenqian, Guo Zichao, Chen Wanghua.  (2024)  Effect of sample mass on the thermal decomposition of 2,4-DNT under sealed condition.  JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY,  149  (24): (14715-14725).  [PMID:] [10.1007/s10973-024-13842-w]
17. Kefa Sheng, Hongyu Xia, Jianping Ge.  (2024)  Highly dispersed Pd nanoparticles supported by magnetically separable Fe3O4@ SiO2 nanotube for catalytic hydrogenation of nitroaromatics.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39059282] [10.1016/j.jcis.2024.07.156]
18. Haiyang Xie, Tianyi Guo, Yanjuan Zhang, Zuqiang Huang, Huayu Hu, Qian He, Tao Gan.  (2024)  Mechanical activation assisted synthesis of atomically dispersed cobalt catalysts supported on N, P co-doped cellulose-derived carbon for nitrobenzene hydrogenation.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2024.162020]
19. Mian Hu, Meiqi Chen, Zhibin Li, Zhiheng Ye, Zhong-Ting Hu, Zhiyan Pan, Dabin Guo, François Nkinahamira, Jinling Wan, Libo Wu, Baihui Cui, Junliang Wang.  (2024)  Mechanism of catalytic subcritical water oxidation of m-nitroaniline and nitrogen conversion by CuCo2O4 catalyst.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151757]
20. Li Liu, Ran Cen, Zhiyou Xiao, Zhu Tao, Xin Xiao.  (2024)  Nitrogen and sulfur doped carbon nanomaterials based on cucurbiturils for visual detection of nitroaniline.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2024.140504]
21. Zhaoyan Deng, Yuhan Chen, Qiang Tian, Tianyi Guo, Yanjuan Zhang, Zuqiang Huang, Huayu Hu, Tao Gan.  (2024)  Cobalt single atoms supported on CNT/MoS2 heterojunction nanocomposite for highly-efficient reduction of 4-nitrophenol wastewater: Enhanced electron transport.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126284]
22. Jing Li, Li Xu, Zhi-guo Shi.  (2018)  Waxberry-like hierarchically porous ethyl-bridged hybrid silica microsphere: A substrate for enzyme catalysis and high-performance liquid chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30527847] [10.1016/j.chroma.2018.11.073]
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Domande frequenti

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.
How is this product shipped?
This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 99-09-2, the molecular formula is C6H6N2O2, and the molecular weight is 138.13 g/mol. InChIKey XJCVRTZCHMZPBD-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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