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1-Nitronaphthalene - 95%, high purity , CAS No.86-57-7

8 Citations

COA

Grade & Purity:

≥95%

Cas Number: 86-57-7
Molecular Weight: 173.17
Beilstein Registry Number: 1867714
EC Number: 201-684-5
MDL number: MFCD00003913
PubChem CID: 6849
PubChem SID: 504751186

In stock

Item Number

N100999

Grouped product items
SKU	Size	Availability	Price
N100999-1g	1g	3	$9.90
N100999-5g	5g	5	$12.90
N100999-25g	25g	2	$15.90
N100999-100g	100g	2	$48.90
N100999-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$219.90

Basic Description

Synonyms	1-Nitronaphthalene, purum, >=98.0% (GC) \| NITRONAPHTHALENE, 1- \| A24106 \| DTXSID7020978 \| Naphthalene, nitro- \| 1-Nitronaphthalene, BCR(R) certified Reference Material \| InChI=1/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7 \| NCGC00256373-01 \| STR0342
Specifications & Purity	≥95%
Biochemical and Physiological Mechanisms	1-Nitronaphthalene binds covalently to protein and forms adducts in the rat airway epithelium in vivo.
Shipped In	Normal
Product Description	Usually used to study excited state dynamics of 1-nitropthalene in nonpolar, aprotic and protic solvents.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Nitronaphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Nitronaphthalenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitronaphthalenes
Alternative Parents	Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	1-nitronaphthalene - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
External Descriptors	mononitronaphthalene
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

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

Associated Targets(non-human)

Salmonella typhimurium (15756 Activities)

Explore this target

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Pubchem Sid	504751186
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751186
IUPAC Name	1-nitronaphthalene
INCHI	InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey	RJKGJBPXVHTNJL-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-]
Isomeric SMILES	C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-]
WGK Germany	3
RTECS	QJ9720000
UN Number	2538
Molecular Weight	173.17
Beilstein	1867714
Reaxy-Rn	1867714
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1867714&ln=

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.

12 results found

Lot Number	Certificate Type	Date	Item
E2515033	Certificate of Analysis	May 29, 2025	N100999
E2509052	Certificate of Analysis	May 16, 2025	N100999
K2429086	Certificate of Analysis	Dec 06, 2024	N100999
B2521045	Certificate of Analysis	Dec 06, 2024	N100999
A2516090	Certificate of Analysis	Dec 06, 2024	N100999
G2417099	Certificate of Analysis	Jul 22, 2024	N100999
L2420079	Certificate of Analysis	Jul 11, 2022	N100999
G2205267	Certificate of Analysis	Jul 11, 2022	N100999
G2205280	Certificate of Analysis	Jul 11, 2022	N100999
G2205279	Certificate of Analysis	Jul 11, 2022	N100999
G2205265	Certificate of Analysis	Jul 11, 2022	N100999
G2205268	Certificate of Analysis	Jul 09, 2022	N100999

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Chemical and Physical Properties

Flash Point(°F)	327.2 °F
Flash Point(°C)	164℃
Boil Point(°C)	304°C
Melt Point(°C)	59-61°C
Molecular Weight	173.170 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	173.048 Da
Monoisotopic Mass	173.048 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Feng Xu, Zhiquan Chen, Lei Ni, Gang Fu, Jian Liu, Juncheng Jiang. (2023) Study on Continuous Flow Nitration of Naphthalene. ORGANIC PROCESS RESEARCH & DEVELOPMENT, 27 (11): (2134–2145).
2. Jun Liang, Lei Ni, Peihong Wu, Hang Yao, Qiang Chen, Gang Fu, Juncheng Jiang. (2022) Process safety assessment of semibatch nitration of naphthalene with mixed acid to 1-nitronaphthalene. AICHE JOURNAL, 68 (7): (e17679).
3. Jinqiu Li, Bin Zhao, Liying Guo, Zhuo Wang, Chun Wang, Zhi Wang, Shuaihua Zhang, Qiuhua Wu. (2021) Synthesis of hypercrosslinked polymers for efficient solid-phase microextraction of polycyclic aromatic hydrocarbons and their derivatives followed by gas chromatography-mass spectrometry determination. JOURNAL OF CHROMATOGRAPHY A, 1653 (462428).
4. Yue Lin, Xiu Huang, Yongchun Liu, Dong Cao, Dawei Lu, Zeming Feng, Qian Liu, Zhenyu Lin, Guibin Jiang. (2021) Identification, Quantification, and Imaging of the Biodistribution of Soot Particles by Mass Spectral Fingerprinting. ANALYTICAL CHEMISTRY, 93 (17): (6665–6672).
5. Huan Fu, Luna Ruan, Jianhua Liao, An Pei, Jun Liu, Li Zeng, Kai Yang, Lihua Zhu, Bing Hui Chen. (2020) PtNi/C bimetallic nanocatalyst with high catalytic performance and stability for 1-nitronaphthalene hydorgenation to 1-naphthylamine. Molecular Catalysis, 494 (111151).
6. Chengjiang Zhang, Gongke Li, Zhuomin Zhang. (2015) A hydrazone covalent organic polymer based micro-solid phase extraction for online analysis of trace Sudan dyes in food samples. JOURNAL OF CHROMATOGRAPHY A, 1419 (1).
7. Jiayue Dong, Peizeng Yang, Deyang Kong, Yiqiang Song, Junhe Lu. (2024) Formation of nitrated naphthalene in the sulfate radical oxidation process in the presence of nitrite. WATER RESEARCH, 255 (121546).
8. Qingwen Tao, Pu Ma, Beining Chen, Xiaolei Qu, Heyun Fu. (2024) Hierarchically spherical assembly of carbon nanorods derived from metal-organic framework as solid-phase microextraction coating for nitrated polycyclic aromatic hydrocarbon analysis. JOURNAL OF CHROMATOGRAPHY A, 1736 (465352).

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