Identification | More | [Name]
4-Chloro-2-nitrotoluene | [CAS]
89-59-8 | [Synonyms]
2-Nitro-4-chlorotoluene 4-chloro-1-methyl-2-nitro-benzene 4-CHLORO-2-NITROTOLUENE 5-CHLORO-2-METHYLNITROBENZENE 4,2-Chloronitrotoluene 4-chloro-1-methyl-2-nitro-benzen Benzene, 4-chloro-1-methyl-2-nitro- Benzene,4-chloro-1-methyl-2-nitro- p-Chloro-o-nitrotoluene Toluene, 4-chloro-2-nitro- Toluene,4-chloro-2-nitro- 4-CHLORO-2-NITROTOLUENE OEKANAL, 250 MG 4-Chloro-2-nitrotoluene,99% 1-Chloro-4-methyl-3-nitrobenzene o-Nitro-p-chlorotoluene 2-METHYL-5-CHLORONITROBENZENE 4-Chlor-2-nitrotoluol 4-CHLORO-2-NITRO-TOLUENE 99.00% 4-Chloro-2-Nitorotoluene Phenol, p-nitro-, mercury(II) salt | [EINECS(EC#)]
201-921-2 | [Molecular Formula]
C7H6ClNO2 | [MDL Number]
MFCD00007215 | [Molecular Weight]
171.58 | [MOL File]
89-59-8.mol |
Chemical Properties | Back Directory | [Appearance]
clear brown liquid after melting | [Melting point ]
34-38 °C (lit.) | [Boiling point ]
239-240 °C/718 mmHg (lit.) | [density ]
1.2559 | [refractive index ]
1.5570 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Store below +30°C. | [form ]
powder to lump to clear liquid | [color ]
White or Colorless to Yellow | [Water Solubility ]
109 mg/L (20 ºC) | [Detection Methods]
GC,HPLC,NMR | [BRN ]
2046651 | [InChI]
InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3 | [InChIKey]
SQFLFRQWPBEDHM-UHFFFAOYSA-N | [SMILES]
C1(C)=CC=C(Cl)C=C1[N+]([O-])=O | [CAS DataBase Reference]
89-59-8(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Chloro-2-nitrotoluene(89-59-8) | [EPA Substance Registry System]
89-59-8(EPA Substance) |
Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn,N | [Risk Statements ]
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 ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 3457 6.1/PG 3
| [WGK Germany ]
2
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29049090 |
Hazard Information | Back Directory | [Chemical Properties]
clear brown liquid after melting | [Uses]
4-Chloro-1-methyl-2-nitrobenzene is used in the synthesis of NMDA-glycine antagonists. Also it is used in the preparation of COX-2 inhibitor. | [Production Methods]
4-Chlorotoluene is nitrated with mixed acid (39/59/2) at 25 ℃ to give a mixture of 4-Chloro-2-nitrotoluene (65 %) and 4-Chloro-3-nitrotoluene (35 %) isomers. The major component is separated as the lower boiling fraction on vacuum distillation. 4-Chloro-3-nitrotoluene [89-60-1] can be obtained, if required, from the residue by distillation and sweating. | [Biochem/physiol Actions]
4-Chloro-2-nitrotoluene is the starting reagent for synthesis of tricyclic indole-2-carboxylic acids, a potential NMDA-glycine antagonists. |
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