ChemicalBook--->CAS DataBase List--->51282-49-6

51282-49-6

51282-49-6 Structure

51282-49-6 Structure
IdentificationMore
[Name]

Methyl 5-chloro-2-nitrobenzoate
[CAS]

51282-49-6
[Synonyms]

5-CHLORO-2-NITROBENZOIC ACID METHYL ESTER
METHYL (2-NITRO-5-CHLORO)BENZOATE
METHYL 5-CHLORO-2-NITROBENZOATE
METHYL 5-CHLORO-2-NITROBENZOIC ACID
RARECHEM AL BF 0190
5-chloro-2-nitro-benzoicacimethylester
METHYL 5-CHLORO-2-NITROBENZONATE
2-NITRO-5-CHLOROBENZOICACIDMETHYLESTER
4-Chloro-2-methoxycarbonylnitrobenzene
[EINECS(EC#)]

257-107-2
[Molecular Formula]

C8H6ClNO4
[MDL Number]

MFCD00272139
[Molecular Weight]

215.59
[MOL File]

51282-49-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystalline powder or chunks
[Melting point ]

48-52 °C (lit.)
[Boiling point ]

306.2±22.0 °C(Predicted)
[density ]

1.4530
[refractive index ]

1.6000 (estimate)
[Fp ]

>230 °F
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Pale Yellow
[InChI]

1S/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
[InChIKey]

JGBJHRKCUKTQOE-UHFFFAOYSA-N
[SMILES]

COC(=O)c1cc(Cl)ccc1[N+]([O-])=O
[CAS DataBase Reference]

51282-49-6(CAS DataBase Reference)
[EPA Substance Registry System]

51282-49-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Dichloromethane-->Potassium carbonate-->Magnesium sulfate-->Dimethyl sulfate-->5-Chloro-2-nitrobenzoic acid-->5-Chloro-2-nitro-benzoyl chloride-->Methyl 3-chlorobenzoate-->Methanol-->Iodomethane-->Methyl chloroformate-->Nitric acid-->Triethylamine
[Preparation Products]

Bifenox-->methyl 2-amino-5-morpholin-4-ylbenzoate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 5-chloro-2-nitrobenzoate(51282-49-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystalline powder or chunks
[Synthesis]

5-Chloro-2-nitrobenzoic acid

2516-95-2

Iodomethane

74-88-4

Methyl 5-chloro-2-nitrobenzoate

51282-49-6

This embodiment relates to the synthesis of methyl 2-nitro-5-chlorobenzoate: to a stirred solution of 5-chloro-2-nitrobenzoic acid (9.393 g, 46.60 mmol) in anhydrous DMF (155 mL) at 0 °C was added potassium carbonate (K2CO3, 13.23 g, 95.72 mmol) and iodomethane (MeI, 19.38 g, 8.5 mL. 136.5 mmol), followed by slow warming of the reaction mixture to 40 °C. After 1 h of reaction, the solution was cooled to room temperature and diluted with ethyl acetate (EtOAc, 115 mL). The organic phase was washed sequentially with water (3 x 100 mL) and saturated sodium chloride solution (3 x 100 mL). The combined organic phases were dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure, and the resulting crude product was purified by silica gel column chromatography with 40-60% ethyl acetate/hexane as eluent to afford methyl 2-nitro-5-chlorobenzoate (9.244 g, 42.87 mmol, 92% yield) as a light yellow solid. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3) and 13C NMR (100 MHz, CDCl3).

[References]

[1] Journal of Organic Chemistry, 2007, vol. 72, # 26, p. 9857 - 9865
[2] Patent: WO2008/156656, 2008, A2. Location in patent: Page/Page column 44; 179-180
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 5-chloro-2-nitrobenzoate, 99%(51282-49-6)
[Alfa Aesar]

Methyl 5-chloro-2-nitrobenzoate, 98%(51282-49-6)
[Sigma Aldrich]

51282-49-6(sigmaaldrich)
[TCI AMERICA]

Methyl 5-Chloro-2-nitrobenzoate,>98.0%(GC)(51282-49-6)
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