ChemicalBook--->CAS DataBase List--->645-09-0

645-09-0

645-09-0 Structure

645-09-0 Structure
IdentificationMore
[Name]

3-NITROBENZAMIDE
[CAS]

645-09-0
[Synonyms]

3-NITROBENZAMIDE
M-NITROBENZAMIDE
3-nitro-benzamid
Benzamide, m-nitro-
m-nitro-benzamid
3-Nitrobenzamide,98%
[EINECS(EC#)]

211-431-0
[Molecular Formula]

C7H6N2O3
[MDL Number]

MFCD00007984
[Molecular Weight]

166.13
[MOL File]

645-09-0.mol
Questions And AnswerBack Directory
[Synthesis]

Synthesis of 645-09-0

The general method is as follows: The synthesis of 3-nitrobenzamide is based on the synthesis of 4-nitrophenol described below. Add 1 mmol of 69% nitric acid (1 mmol) and 1 mmol of the transition metal complex ([Co(NH3)5Cl]Cl2) to a dichloromethane solution of phenol (1 mmol). Stir the reaction mixture at room temperature for 2 hours. Monitor the reaction progress by TLC. After the reaction is indicated by TLC completion, treat the reaction mixture with sodium carbonate solution. Extract the reaction mixture with dichloromethane. Separate the organic layer, dry with sodium sulfate, and evaporate to obtain the crude product. Purify the crude product on silica gel to obtain 4-nitrophenol as the product. 3-Nitrobenzamide, yield 82%.

Chemical PropertiesBack Directory
[Appearance]

yellow powder
[Melting point ]

140-143 °C (lit.)
[Boiling point ]

312.55°C
[density ]

1.4994 (rough estimate)
[refractive index ]

1.5880 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder or Crystals
[pka]

14.86±0.50(Predicted)
[color ]

Yellow
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[BRN ]

777185
[InChI]

InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)
[InChIKey]

KWAYEPXDGHYGRW-UHFFFAOYSA-N
[SMILES]

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

645-09-0(CAS DataBase Reference)
[EPA Substance Registry System]

m-Nitrobenzamide (645-09-0)
Safety DataBack Directory
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

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

3
[RTECS ]

CV5601250
[TSCA ]

Yes
[HS Code ]

29242990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[General Description]

Yellow powder.
[Reactivity Profile]

A nitrated amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

Flash point data for this compound are not available, however, M-NITROBENZAMIDE is probably combustible.
[Chemical Properties]

yellow powder
Spectrum DetailBack Directory
[Spectrum Detail]

3-NITROBENZAMIDE(645-09-0)MS
3-NITROBENZAMIDE(645-09-0)1HNMR
3-NITROBENZAMIDE(645-09-0)IR1
3-NITROBENZAMIDE(645-09-0)IR2
3-NITROBENZAMIDE(645-09-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Nitrobenzamide, 98%(645-09-0)
[Alfa Aesar]

3-Nitrobenzamide, 98%(645-09-0)
[Sigma Aldrich]

645-09-0(sigmaaldrich)
[TCI AMERICA]

3-Nitrobenzamide,>98.0%(T)(645-09-0)
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