ChemicalBook--->CAS DataBase List--->618-95-1

618-95-1

618-95-1 Structure

618-95-1 Structure
IdentificationMore
[Name]

Methyl 3-nitrobenzoate
[CAS]

618-95-1
[Synonyms]

3-NITROBENZOIC ACID METHYL ESTER
AKOS B029800
METHYL 3-NITROBENZOATE
METHYL M-NITROBENZOATE
RARECHEM AL BF 0189
3-nitro-benzoicacimethylester
Benzoic acid, 3-nitro-, methyl ester
Benzoic acid, m-nitro-, methyl ester
Benzoicacid,3-nitro-,methylester
Methyl meta-nitrobenzoate
m-Nitrobenzoic acid, methyl ester
Methyl 3-nitrobenzoate/3-Nitrobenzoic acid methyl ester
Methyl 3-Nitrobenzoic Acid
4-Methyl M-Nitro-Benzoate
4-Methyl-3-nitrobenzoate
Methyl 3-nitrobenzoate, 98+%
3-Nitrobenzoic acid methyl
[EINECS(EC#)]

210-573-0
[Molecular Formula]

C8H7NO4
[MDL Number]

MFCD00007250
[Molecular Weight]

181.15
[MOL File]

618-95-1.mol
Chemical PropertiesBack Directory
[Appearance]

beige crystalline powder
[Melting point ]

78-80 °C (lit.)
[Boiling point ]

279 °C (lit.)
[density ]

1.4283 (rough estimate)
[refractive index ]

1.5468 (estimate)
[Fp ]

279°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[color ]

Beige
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Water Solubility ]

insoluble
[BRN ]

392449
[InChIKey]

AXLYJLKKPUICKV-UHFFFAOYSA-N
[CAS DataBase Reference]

618-95-1(CAS DataBase Reference)
[NIST Chemistry Reference]

3-O2N-C6H4-COOCH3(618-95-1)
[EPA Substance Registry System]

618-95-1(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29163900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Methyl benzoate
[Preparation Products]

2,3-Dihydro-3-(MethoxyphenylMethylene)-2-oxo-1H-indole-6-carboxylic acid Methyl ester-->METHYL 5-AMINOSALICYLATE-->METHYL 5-NITROSALICYLATE-->3-NITROBENZHYDRAZIDE-->3-AMINO-5-BROMOBENZOATE-->3-Nitrobenzyl alcohol-->3-[5-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-yl]-phenylamine-->Methyl 3-benzenesulfonaMidobenzoate
Hazard InformationBack Directory
[Chemical Properties]

beige crystalline powder
[Uses]

Methyl 3-nitrobenzoate was used in the preparation of iodoarene.
[Synthesis Reference(s)]

Synthetic Communications, 22, p. 1851, 1992 DOI: 10.1080/00397919208021316
Chemical and Pharmaceutical Bulletin, 36, p. 481, 1988 DOI: 10.1248/cpb.36.481
[Purification Methods]

Crystallise the benzoate from MeOH (1g/mL). [Beilstein 9 H 378, 9 I 153, 9 II 248, 9 III 1493, 9 IV 1056.]
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3-nitrobenzoate(618-95-1)MS
Methyl 3-nitrobenzoate(618-95-1)1HNMR
Methyl 3-nitrobenzoate(618-95-1)13CNMR
Methyl 3-nitrobenzoate(618-95-1)IR1
Methyl 3-nitrobenzoate(618-95-1)IR2
Methyl 3-nitrobenzoate(618-95-1)IR3
Methyl 3-nitrobenzoate(618-95-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 3-nitrobenzoate, 98%(618-95-1)
[Alfa Aesar]

Methyl 3-nitrobenzoate, 98+%(618-95-1)
[Sigma Aldrich]

618-95-1(sigmaaldrich)
[TCI AMERICA]

Methyl 3-Nitrobenzoate,>98.0%(GC)(618-95-1)
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