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N105604-100ml

100ml

In stock

$16.90

N105604-500ml

500ml

Available within 4-8 weeks(?)

$58.90

Basic Description

Synonyms	3-Nitrotoluene \| 1-Methyl-3-nitrobenzene \| m-Nitrotoluene \| 99-08-1 \| 3-Nitrotoluol \| Benzene, 1-methyl-3-nitro- \| m-Methylnitrobenzene \| Toluene, m-nitro- \| 3-Methylnitrobenzene \| Nitrotoluene, m- \| 3-Nitrotoluene, 99% \| 3-Methyl-1-nitrobenzene \| 1-methyl-3-nitro-benzene \| CHEMBL
Specifications & Purity	CP
Shipped In	Normal
Grade	CP

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (1 Activities)

Discover Target: ACHE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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

Names and Identifiers

IUPAC Name	1-methyl-3-nitrobenzene
INCHI	InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChi Key	QZYHIOPPLUPUJF-UHFFFAOYSA-N
Canonical SMILES	CC1=CC(=CC=C1)[N+](=O)[O-]
Isomeric SMILES	CC1=CC(=CC=C1)[N+](=O)[O-]
WGK Germany	2
RTECS	XT2975000
PubChem CID	7422
UN Number	1664
Packing Group	II
Molecular Weight	137.14
Beilstein	1906910
Reaxy-Rn	1906910

Certificates

Certificate of Analysis(COA)

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1 results found

Lot Number	Certificate Type	Date	Item
B2327403	Certificate of Analysis	Mar 03, 2023	N105604

Chemical and Physical Properties

Solubility	Insoluble in water; Degree of Solubility in water: 0.5 g/l 20 °C; Miscible with Alcohol,Ether; Soluble in Benzene
Freezing Point(°C)	16 °C
Refractive Index	1.54
Flash Point(°F)	208 °F
Flash Point(°C)	98 °C
Boil Point(°C)	232°C
Melt Point(°C)	16 °C

Safety and Hazards(GHS)

Pictogram(s)	GHS06, GHS08, GHS09
Signal	Warning
Hazard Statements	H301:Toxic if swallowed H311:Toxic in contact with skin H331:Toxic if inhaled H373:Causes damage to organs through prolonged or repeated exposure H411:Toxic to aquatic life with long lasting effects H302:Harmful if swallowed
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P273:Avoid release to the environment. 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. P260:Do not breathe dust/fume/gas/mist/vapors/spray. 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. P391:Collect spillage. P330:Rinse mouth. P361+P364:Take off immediately all contaminated clothing and wash it before reuse. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P301+P317:IF SWALLOWED: Get medical help. P316:Get emergency medical help immediately. P319:Get medical help if you feel unwell.
WGK Germany	2
RTECS	XT2975000
Reaxy-Rn	1906910
Class	6.1
Merck Index	6650

Citations of This Product

1. Song Jing, Cui Yongjin, Wang Yujun, Wang Kai, Deng Jian, Luo Guangsheng. (2023) Accurate determination of the kinetics of toluene nitration in a liquid–liquid microflow system. Journal of Flow Chemistry, 13 (3): (311-323). [PMID:]
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]
3. Guo Pan, Zhan Yuzhong, Yang Yanliang, Lu Tianliang. (2022) Preparation of COFs Supported Pd as an Efficient Catalyst for the Hydrogenation of Aromatic Nitro. CATALYSIS LETTERS, 152 (12): (3725-3732). [PMID:]

References

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2. G Allenby,P M Foster,R M Sharpe. (1991-05-01) Evaluation of changes in the secretion of immunoactive inhibin by adult rat seminiferous tubules in vitro as an indicator of early toxicant action on spermatogenesis.. Fundamental and applied toxicology : official journal of the Society of Toxicology, 16 ((4)): (710-724). [PMID:1653159]
3. J P Chism,D E Rickert. (1985-11-01) Isomer- and sex-specific bioactivation of mononitrotoluenes. Role of enterohepatic circulation.. Drug metabolism and disposition: the biological fate of chemicals, 13 ((6)): (651-657). [PMID:2867866]
4. D E Rickert,J P Chism,G L Kedderis. (1986-01-01) Metabolism and carcinogenicity of nitrotoluenes.. Advances in experimental medicine and biology, 197 (563-571). [PMID:3766281]
5. J P Chism,M J Turner,D E Rickert. (1984-09-01) The metabolism and excretion of mononitrotoluenes by Fischer 344 rats.. Drug metabolism and disposition: the biological fate of chemicals, 12 ((5)): (596-602). [PMID:6149910]
6. D E Rickert,R M Long,M C Dyroff,G L Kedderis. (1984-12-01) Hepatic macromolecular covalent binding of mononitrotoluenes in Fischer-344 rats.. Chemico-biological interactions, 52 ((2)): (131-139). [PMID:6595071]
7. D J Doolittle,J M Sherrill,B E Butterworth. (1983-06-01) Influence of intestinal bacteria, sex of the animal, and position of the nitro group on the hepatic genotoxicity of nitrotoluene isomers in vivo.. Cancer research, 43 ((6)): (2836-2842). [PMID:6850595]
8. J K Dunnick,M R Elwell,J R Bucher. (1994-04-01) Comparative toxicities of o-, m-, and p-nitrotoluene in 13-week feed studies in F344 rats and B6C3F1 mice.. Fundamental and applied toxicology : official journal of the Society of Toxicology, 22 ((3)): (411-421). [PMID:7519572]
9. . (1996-01-01) 2-Nitrotoluene, 3-nitrotoluene and 4-nitrotoluene.. IARC monographs on the evaluation of carcinogenic risks to humans, 65 (409-435). [PMID:9097114]
10. R Salto,A Delgado,C Michán,S Marqués,J L Ramos. (1998-02-11) Modulation of the function of the signal receptor domain of XylR, a member of a family of prokaryotic enhancer-like positive regulators.. Journal of bacteriology, 180 ((3)): (600-604). [PMID:9457863]
11. Muhammad Shariq Vohra,Keiichi Tanaka. (2002-01-05) Photocatalytic degradation of nitrotoluene in aqueous TiO2 suspension.. Water research, 36 ((1)): (59-64). [PMID:11766818]
12. Y Liang,Z Yi,Z Cai,G Zhu. (2003-01-30) [Analysis of HPLC of isomers of nitrotoluene and nitrobenzoic acid].. Se pu = Chinese journal of chromatography, 17 ((4)): (397-398). [PMID:12552863]
13. Grit Neumann,Nadja Kabelitz,Andreas Zehnsdorf,Anja Miltner,Holger Lippold,Daniel Meyer,Andreas Schmid,Hermann J Heipieper. (2005-11-05) Prediction of the adaptability of Pseudomonas putida DOT-T1E to a second phase of a solvent for economically sound two-phase biotransformations.. Applied and environmental microbiology, 71 ((11)): (6606-6612). [PMID:16269688]
14. Daniel Meyer,Bernard Witholt,Andreas Schmid. (2005-11-05) Suitability of recombinant Escherichia coli and Pseudomonas putida strains for selective biotransformation of m-nitrotoluene by xylene monooxygenase.. Applied and environmental microbiology, 71 ((11)): (6624-6632). [PMID:16269690]
15. Wen-Shing Chen,Jing-Song Liang. (2008-05-31) Electrochemical destruction of dinitrotoluene isomers and 2,4,6-trinitrotoluene in spent acid from toluene nitration process.. Journal of hazardous materials, 161 ((2-3)): (1017-1023). [PMID:18511190]
16. Bofan Yu,Yonghui Song,Lu Han,Huibin Yu,Yang Liu,Hongliang Liu. (2014-07-07) Optimizations of packed sorbent and inlet temperature for large volume-direct aqueous injection-gas chromatography to determine high boiling volatile organic compounds in water.. Journal of chromatography. A, 1356 (221-229). [PMID:24997514]
17. Cameron Johns,Joseph P Hutchinson,Rosanne M Guijt,Emily F Hilder,Paul R Haddad,Mirek Macka,Pavel N Nesterenko,Adam J Gaudry,Greg W Dicinoski,Michael C Breadmore. (2015-05-23) Micellar electrokinetic chromatography of organic and peroxide-based explosives.. Analytica chimica acta, 876 (91-97). [PMID:25998463]
18. J Struijs,J Stoltenkamp. (1986-12-01) Ultimate biodegradation of 2-, 3- and 4-nitrotoluene.. The Science of the total environment, 57 (161-170). [PMID:3810140]
19. J D deBethizy,D E Rickert. (1984-01-01) Metabolism of nitrotoluenes by freshly isolated Fischer 344 rat hepatocytes.. Drug metabolism and disposition: the biological fate of chemicals, 12 ((1)): (45-50). [PMID:6141911]
20. L E Hallas,M Alexander. (1983-04-01) Microbial transformation of nitroaromatic compounds in sewage effluent.. Applied and environmental microbiology, 45 ((4)): (1234-1241). [PMID:6859845]
21. L A Burns,K L White,J A McCay,B A Fuchs,M Stern,R D Brown,D L Musgrove,M P Holsapple,M I Luster,S G Bradley. (1994-01-01) Immunotoxicity of mono-nitrotoluenes in female B6C3F1 mice: II. Meta-nitrotoluene.. Drug and chemical toxicology, 17 ((3)): (359-399). [PMID:7988387]
22. C R Jones,O Sepai,Y Y Liu,H Yan,G Sabbioni. (2005-08-16) Urinary metabolites of workers exposed to nitrotoluenes.. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals, 10 ((1)): (10-28). [PMID:16097390]
23. Daniel J Ferraro,Adam L Okerlund,Jonathan C Mowers,S Ramaswamy. (2006-09-19) Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.. Journal of bacteriology, 188 ((19)): (6986-6994). [PMID:16980501]
24. M Govindarajan,M Karabacak,A Suvitha,S Periandy. (2012-01-21) FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene.. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 89 (137-148). [PMID:22261102]
25. Mina Jowkarderis,Farhad Raofie. (2012-01-24) Optimization of supercritical fluid extraction combined with dispersive liquid-liquid microextraction as an efficient sample preparation method for determination of 4-nitrotoluene and 3-nitrotoluene in a complex matrix.. Talanta, 88 (50-53). [PMID:22265468]
26. Yu Tian,Yunfang Li,Jie Mei,Bin Deng,Yuxiu Xiao. (2015-06-06) Hexafluoroisopropanol-modified cetyltrimethylammonium bromide/sodium dodecyl sulfate vesicles as a pseudostationary phase in electrokinetic chromatography.. Journal of chromatography. A, 1404 (131-140). [PMID:26044380]
27. Song Jing, Cui Yongjin, Wang Yujun, Wang Kai, Deng Jian, Luo Guangsheng. (2023) Accurate determination of the kinetics of toluene nitration in a liquid–liquid microflow system. Journal of Flow Chemistry, 13 (3): (311-323). [PMID:]
28. 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]
29. Guo Pan, Zhan Yuzhong, Yang Yanliang, Lu Tianliang. (2022) Preparation of COFs Supported Pd as an Efficient Catalyst for the Hydrogenation of Aromatic Nitro. CATALYSIS LETTERS, 152 (12): (3725-3732). [PMID:]

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m-Nitrotoluene - reagent grade, high purity , CAS No.99-08-1