| Identification | More | [Name]
4-Chloro-3-nitrotoluene | [CAS]
89-60-1 | [Synonyms]
1-CHLORO-4-METHYL-2-NITROBENZENE
2-CHLORO-5-METHYLNITROBENZENE
3-NITRO-4-CHLORO TOLUENE
4-CHLORO-3-NITROTOLUENE
M-NITRO-P-CHLOROTOLUENE
1-chloro-4-methyl-2-nitro-benzen
4,3-Chloronitrotoluene
Toluene, 4-chloro-3-nitro-
toluene,4-chloro-3-nitro-
4-CHLORO-3-NITROTOLUENE, TECH
4-Chloro-3-nitrotoluene 97%
4-Chloro-3-nitrotoluene, 97+%
1-Chloro-2-nitro-4-methylbenzene
2-Chloro-5-methyl-1-nitrobenzene
4-Chloro-3-nitro-1-methylbenzene | [EINECS(EC#)]
201-922-8 | [Molecular Formula]
C7H6ClNO2 | [MDL Number]
MFCD00007085 | [Molecular Weight]
171.58 | [MOL File]
89-60-1.mol |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 2433 6.1/PG 3
| [WGK Germany ]
3
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29049085 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR YELLOW LIQUID | [Uses]
4-Chloro-3-nitrotoluene was used in the synthesis of 4-(2-hydroxyethylamino)-3-nitrotoluene. | [Uses]
4-Chloro-3-nitrotoluene is used in the synthesis of quinazoline-2,4(1H,3H)-dione derivatives as PARP-2 selective inhibitors. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 42, p. 2426, 1977 DOI: 10.1021/jo00434a017 | [General Description]
Vibrational spectral analysis of 4-chloro-3-nitrotoluene has been studied using Raman and IR spectroscopy. | [Synthesis]
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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