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4-Chloro-3-nitrotoluene

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Products Intro: Product Name:4-Chloro-3-nitrotoluene
CAS:89-60-1
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CAS:89-60-1
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Products Intro: Product Name:1-chloro-4-methyl-2-nitrobenzene
CAS:89-60-1
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  • $100.00 / 1KG
  • 2025-09-25
  • CAS:89-60-1
  • Min. Order: 1KG
  • Purity: 99%
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4-Chloro-3-nitrotoluene Basic information
Product Name:4-Chloro-3-nitrotoluene
Synonyms:4-CHLORO-3-NITROTOLUENE;3-NITRO-4-CHLORO TOLUENE;M-NITRO-P-CHLOROTOLUENE;Toluene, 4-chloro-3-nitro-;2-CHLORO-5-METHYLNITROBENZENE;1-CHLORO-4-METHYL-2-NITROBENZENE;1-chloro-4-methyl-2-nitro-benzen;4,3-Chloronitrotoluene
CAS:89-60-1
MF:C7H6ClNO2
MW:171.58
EINECS:201-922-8
Product Categories:Aromatic Hydrocarbons (substituted) & Derivatives;Building Blocks;Chemical Synthesis;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks
Mol File:89-60-1.mol
4-Chloro-3-nitrotoluene Structure
4-Chloro-3-nitrotoluene Chemical Properties
Melting point 7 °C(lit.)
Boiling point 260 °C745 mm Hg(lit.)
density 1.297 g/mL at 25 °C(lit.)
refractive index n20/D 1.558(lit.)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
form clear liquid
color Light yellow to Yellow to Orange
BRN 511055
InChI1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKeyNWESJZZPAJGHRZ-UHFFFAOYSA-N
SMILESCc1ccc(Cl)c(c1)[N+]([O-])=O
CAS DataBase Reference89-60-1(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, 1-chloro-4-methyl-2-nitro-(89-60-1)
EPA Substance Registry SystemBenzene, 1-chloro-4-methyl-2-nitro- (89-60-1)
Safety Information
Hazard Codes Xn,N
Risk Statements 22-36/37/38-20/21/22-52/53-51/53-36/38-33
Safety Statements 36/37/39-26-61-57-36/37-23-9
RIDADR UN 2433 6.1/PG 3
WGK Germany 3
TSCA TSCA listed
HazardClass 6.1
PackingGroup III
HS Code 29049085
Storage Class6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard ClassificationsAquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
4-Chloro-3-nitrotoluene English
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4-Chloro-3-nitrotoluene Usage And Synthesis
Chemical PropertiesCLEAR YELLOW LIQUID
Uses4-Chloro-3-nitrotoluene is used in the synthesis of quinazoline-2,4(1H,3H)-dione derivatives as PARP-2 selective inhibitors.
Uses4-Chloro-3-nitrotoluene was used in the synthesis of 4-(2-hydroxyethylamino)-3-nitrotoluene.
Synthesis Reference(s)The Journal of Organic Chemistry, 42, p. 2426, 1977 DOI: 10.1021/jo00434a017
General DescriptionVibrational spectral analysis of 4-chloro-3-nitrotoluene has been studied using Raman and IR spectroscopy.
Synthesis
4-METHYL-2-NITROBENZOIC ACID

27329-27-7

4-Chloro-3-nitrotoluene

89-60-1

General procedure for the synthesis of 1-chloro-4-methyl-2-nitrobenzene from 4-methyl-2-nitrobenzoic acid: 6.2 mg of silver sulfate, 36.3 mg of copper acetate, 12.5 mg of 2,9-dimethyl-1,10-o-phenanthroline, 36.2 mg of 4-methyl-2-nitrobenzoic acid, and 17.5 mg of sodium chloride were added sequentially to a Silak reactor tube fitted with a magnetic stirrer. NaCl, followed by the addition of 4 mL of dimethyl sulfoxide as solvent. The reaction mixture was heated and stirred at 160 °C for 24 hours under an oxygen atmosphere. Upon completion of the reaction, the reaction was quenched by the addition of appropriate amount of distilled water and extracted three times with ethyl acetate (10 mL each time). The organic phases were combined and concentrated under reduced pressure to give 17.5 mg of 1-chloro-4-methyl-2-nitrobenzene in 51% yield.

References[1] Patent: CN107325002, 2017, A. Location in patent: Paragraph 0091
[2] Organic and Biomolecular Chemistry, 2018, vol. 16, # 30, p. 5416 - 5421
[3] Journal of Organic Chemistry, 2016, vol. 81, # 7, p. 2794 - 2803
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