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N1-Methyl-4-nitro-1,2-phenylenediamine - >98.0%, high purity , CAS No.41939-61-1

3 Citations

≥98%

CAS#: 41939-61-1
Molecular Weight: 167.17
MDL number: MFCD00156607
PubChem CID: 3420025
PubChem SID: 504762558

In stock

Item Number

N158885

Grouped product items
SKU	Size	Availability	Price
N158885-250mg	250mg	3	$9.90
N158885-1g	1g	9	$26.90
N158885-5g	5g	3	$85.90
N158885-25g	25g	1	$384.90
N158885-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,385.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	1,2-Diamino-N1-methyl-4-nitrobenzene \| BCP08814 \| CS-W022917 \| N-Methyl-2-amino-4-nitroaniline \| AB3980 \| AC-22356 \| N-1-Methyl-4-nitrobenzene-1,2-diamine \| N1-Methyl-4-nitro-benzene-1,2-diamine \| N1-Methyl-4-nitrobenzene-1,2-diamine \| SY027378 \| N1-Methy
Specifications & Purity	≥98%
Shipped In	Normal

Names and Identifiers

Pubchem Sid	504762558
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762558
IUPAC Name	1-N-methyl-4-nitrobenzene-1,2-diamine
INCHI	InChI=1S/C7H9N3O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,8H2,1H3
InChi Key	MNIKERWISBANET-UHFFFAOYSA-N
Canonical SMILES	CNC1=C(C=C(C=C1)[N+](=O)[O-])N
Isomeric SMILES	CNC1=C(C=C(C=C1)[N+](=O)[O-])N
Molecular Weight	167.17
Reaxy-Rn	743437
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743437&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.

2 results found

Lot Number	Certificate Type	Date	Item
C1915066	Certificate of Analysis	Jan 06, 2023	N158885
A2213050	Certificate of Analysis	Jan 18, 2022	N158885

Chemical and Physical Properties

Solubility	Soluble in Dimethylformamide
Melt Point(°C)	177-181°C
Molecular Weight	167.170 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	167.069 Da
Monoisotopic Mass	167.069 Da
Topological Polar Surface Area	83.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169.000
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)	GHS06, GHS07
Signal	Danger
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H301:Toxic if swallowed H311:Toxic in contact with skin H331:Toxic if inhaled H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled H301+H311+H331:Toxic if swallowed, in contact with skin or if inhaled
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P361+P364:Take off immediately all contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P316:Get emergency medical help immediately. P319:Get medical help if you feel unwell.
Reaxy-Rn	743437
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743437&ln=

Specifications

Purity(HPLC)	98-100（%）
Melting point	177-181（℃）
Appearance（N158885)	yellow to dark red powder crystal
Proton NMR spectrum	Conforms to Structure

Specification Sheet

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xiaoying Yan, Fengna Dai, Zhao Ke, Kuangguo Yan, Chunhai Chen, Guangtao Qian, Hui Li. (2022) Synthesis of colorless polyimides with high Tg from asymmetric twisted benzimidazole diamines. EUROPEAN POLYMER JOURNAL, 164 (110975). [PMID:] [10.1016/j.eurpolymj.2021.110975]
2. 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]
3. 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]

References

1. Xiaoying Yan, Fengna Dai, Zhao Ke, Kuangguo Yan, Chunhai Chen, Guangtao Qian, Hui Li. (2022) Synthesis of colorless polyimides with high Tg from asymmetric twisted benzimidazole diamines. EUROPEAN POLYMER JOURNAL, 164 (110975). [PMID:] [10.1016/j.eurpolymj.2021.110975]
2. 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]
3. 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]

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