ChemicalBook--->CAS DataBase List--->121-86-8

121-86-8

121-86-8 Structure

121-86-8 Structure
IdentificationMore
[Name]

2-Chloro-4-nitrotoluene
[CAS]

121-86-8
[Synonyms]

2-CHLORO-1-METHYL-4-NITROBENZENE
2-CHLORO-4-NITROTOLUENE
3-CHLORO-4-METHYLNITROBENZENE
4-Nitro-2-chlorotoluene
P-NITRO-O-CHLOROTOLUENE
1-chloro-2-methyl-5-nitro-benzen
2,4-Chloronitrotoluene
2-Chlor-4-nitrotoluen
2-chloro-1-methyl-4-nitro-benzen
2-chloro-1-methyl-4-nitrobenzene[qr]
2-chloro-4-nitro-1-methylbenzene[qr]
2-chloro-4-nitro-toluen
2-chloro-4-nitrotoluen(czech)[qr]
3-chloro-4-methylnitrobenzene[qr]
Benzene,2-chloro-1-methyl-4-nitro-
benzene,2-chloro-1-methyl-4-nitro-[qr]
cnt[qr]
nsc60111[qr]
o-Chloro-p-nitrotoluol
Toluene, 2-chloro-4-nitro-
[EINECS(EC#)]

204-501-7
[Molecular Formula]

C7H6ClNO2
[MDL Number]

MFCD00007210
[Molecular Weight]

171.58
[MOL File]

121-86-8.mol
Chemical PropertiesBack Directory
[Appearance]

LIGHT YELLOW CRYSTALLINE POWDER
[Melting point ]

61 °C
[Boiling point ]

260 °C
[density ]

1.3246 (rough estimate)
[refractive index ]

1.5470 (estimate)
[Fp ]

150 °C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

acetonitrile: soluble
[form ]

neat
[color ]

Pale Yellow
[Water Solubility ]

49 mg/L (20 ºC)
[BRN ]

1817924
[Henry's Law Constant]

2.4×10-1 mol/(m3Pa) at 25℃, HSDB (2015)
[Major Application]

environmental
[InChI]

InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
[InChIKey]

LLYXJBROWQDVMI-UHFFFAOYSA-N
[SMILES]

C1(C)=CC=C([N+]([O-])=O)C=C1Cl
[CAS DataBase Reference]

121-86-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 2-chloro-1-methyl-4-nitro-(121-86-8)
[EPA Substance Registry System]

2-Chloro-4-nitrotoluene (121-86-8)
Safety DataBack 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 3457 6.1/PG 3
[WGK Germany ]

2
[RTECS ]

XS9100000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29049090
[Safety Profile]

A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx and Cl-.
[Hazardous Substances Data]

121-86-8(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Iodine-->Ferric chloride-->4-Nitrotoluene-->Ironmetal,wire0.075mm(0.003in)diaspectro99.9,metalsbasis
[Preparation Products]

Chlorotoluron-->2-Amino-4-chloro-5-methylbenzenesulfonic acid-->2-Chloro-4-nitrobenzoic acid-->3-Chloro-4-methylaniline-->4-Amino-2-chlorobenzoic acid-->4-Amino-2-chlorobenzaldehyde-->METHYL 2-CHLORO-4-NITROBENZOATE-->2-Chloro-6-nitrotoluene-->1-(bromomethyl)-2-chloro-4-nitrobenzene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Chloro-4-nitrotoluene(121-86-8).msds
Hazard InformationBack Directory
[Chemical Properties]

LIGHT YELLOW CRYSTALLINE POWDER
[Uses]

2-Chloro-4-nitrotoluene is a substituted toluene used in the preparation of wide range of compounds such as herbicides, analgesics and
[Definition]

ChEBI: 2-chloro-4-nitrotoluene is a nitrotoluene that is p-nitrotoluene in which one of the hydrogens that is ortho to the methyl group has been replaced by a chlorine. A pale yellow crystalline compound that is insoluble in water but dissolves in most organic solvents, it is used in the manufacture of dyes. It is a member of monochlorobenzenes and a nitrotoluene.
[Production Methods]

Chlorination of 4-nitrotoluene at 50 ℃ in the presence of iron(III) chloride catalyst gives good conversion to 2-chloro-4-nitrotoluene, the most readily obtained of all the chloronitrotoluene isomers.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 104, p. 4680, 1982 DOI: 10.1021/ja00381a032
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-4-nitrotoluene(121-86-8)MS
2-Chloro-4-nitrotoluene(121-86-8)1HNMR
2-Chloro-4-nitrotoluene(121-86-8)13CNMR
2-Chloro-4-nitrotoluene(121-86-8)IR1
2-Chloro-4-nitrotoluene(121-86-8)IR2
2-Chloro-4-nitrotoluene(121-86-8)IR3
2-Chloro-4-nitrotoluene(121-86-8)IR
2-Chloro-4-nitrotoluene(121-86-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Chloro-4-nitrotoluene, 98%(121-86-8)
[Sigma Aldrich]

121-86-8(sigmaaldrich)
[TCI AMERICA]

2-Chloro-4-nitrotoluene,>99.0%(GC)(121-86-8)
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