ChemicalBook--->CAS DataBase List--->89-59-8

89-59-8

89-59-8 Structure

89-59-8 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS06,GHS08,GHS09
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H312-H331-H373-H401-H411
[Precautionary statements ]

P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P260-P304+P340-P305+P351+P338-P405-P501a
[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
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Nitrotoluene-->2-Chloro-6-nitrotoluene-->Diethyl 2-(4-chloro-2-nitrophenyl)malonate
[Preparation Products]

2,6-Dichlorotoluene-->2,4-Dichlorotoluene-->2-Methoxy-5-methylaniline-->6-Chloro-1H-indole-2-carbaldehyde-->(6-Chloro-1H-indol-2-yl)-methanol-->6-Chloroindole-2-carboxylic acid-->Phenol, 5-chloro-2-methyl-, acetate-->6-Chloroindole-2-carboxylic acid ethyl ester-->5-Chloro-2-methylanisole-->4-Methyl-3-nitrobenzonitrile-->2-Nitro-p-cresol-->2-Acetamino-4-chlorotoluene-->4-Chloro-2-nitrobenzoic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-chloro-1-methyl-2-nitro-benzene(89-59-8).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-2-nitrotoluene(89-59-8)MS
4-Chloro-2-nitrotoluene(89-59-8)1HNMR
4-Chloro-2-nitrotoluene(89-59-8)13CNMR
4-Chloro-2-nitrotoluene(89-59-8)IR1
4-Chloro-2-nitrotoluene(89-59-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Chloro-2-nitrotoluene, 99%(89-59-8)
[Sigma Aldrich]

89-59-8(sigmaaldrich)
[TCI AMERICA]

4-Chloro-2-nitrotoluene,>99.0%(GC)(89-59-8)
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