| Identification | More | [Name]
5-Chloro-2-nitrotoluene | [CAS]
5367-28-2 | [Synonyms]
4-CHLORO-2-METHYL-1-NITRO-BENZENE
5-CHLORO-2-NITROTOLUENE
1-chloro-3-methyl-4-nitro-benzen
5-chloro-2-nitro-toluen
Benzene, 4-chloro-2-methyl-1-nitro-
Toluene, 5-chloro-2-nitro-
3-chloro-6-nitrotoluene
2-Nitro-5-chlorotoluene
1-Chloro-3-methyl-4-nitrobenzene
3-Methyl-4-nitrochlorobenzene | [EINECS(EC#)]
226-355-3 | [Molecular Formula]
C7H6ClNO2 | [MDL Number]
MFCD00024579 | [Molecular Weight]
171.58 | [MOL File]
5367-28-2.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid | [Melting point ]
27-30 °C (lit.) | [Boiling point ]
124-126 °C (16 mmHg) | [density ]
1.32
| [refractive index ]
1.57-1.572
| [Fp ]
202 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
powder to lump | [color ]
White to Light yellow | [Water Solubility ]
insoluble | [InChI]
1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3 | [InChIKey]
NSMZCUAVEOTJDS-UHFFFAOYSA-N | [SMILES]
Cc1cc(Cl)ccc1[N+]([O-])=O | [CAS DataBase Reference]
5367-28-2(CAS DataBase Reference) | [NIST Chemistry Reference]
5-Chloro-2-nitrotoluene(5367-28-2) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N | [Risk Statements ]
R22:Harmful if swallowed.
R36:Irritating to the eyes.
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 ]
3
| [RTECS ]
XS9134000
| [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29049090 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow liquid | [Uses]
The cytotoxicity of 5-chloro-2-nitrotoluene, an analog of chlorphenamidine, was studied. | [General Description]
The cytotoxicity of 5-chloro-2-nitrotoluene, an analog of chlorphenamidine, was studied. | [Synthesis]
General procedure for the synthesis of 5-chloro-2-nitrotoluene and 3-chloro-4-nitrotoluene from 3-chlorotoluene: Concentrated nitric acid (16 mL) was added slowly and dropwise at 0°C to a solution of glacial acetic acid (20 mL) containing 3-chlorotoluene (3 mL, 25.4 mmol) and concentrated sulfuric acid (6 mL). The reaction mixture was stirred at room temperature for 24 hours. Subsequently, the reaction mixture was poured into ice water and liquid-liquid partitioned with ether. After separating the aqueous phase, the aqueous phase was extracted twice with ether. The organic phases were combined, washed sequentially with water and brine, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The yellow oily crude product obtained was purified by silica gel column chromatography and after two rapid chromatographic separations, 1.22 g (14% yield) of 5-chloro-2-nitrotoluene (yellow oily) and 3.39 g (39% yield) of 3-chloro-4-nitrotoluene were obtained. | [References]
[1] Patent: US2012/15962, 2012, A1. Location in patent: Page/Page column 83
[2] Chemische Berichte, 1900, vol. 33, p. 2505
[3] Bulletin de la Societe Chimique de France, 1900, vol. <3> 23, p. 838
[4] Chemische Berichte, 1900, vol. 33, p. 2505,2506 |
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