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10242-12-3

10242-12-3 Structure

10242-12-3 Structure
IdentificationMore
[Name]

5-NITROBENZOFURAN-2-CARBOXYLIC ACID
[CAS]

10242-12-3
[Synonyms]

5-NITRO-1-BENZOFURAN-2-CARBOXYLIC ACID
5-NITROBENZO[B]FURAN-2-CARBOXYLIC ACID
5-NITROBENZOFURAN-2-CARBOXYLIC ACID
BUTTPARK 40\07-63
5-Nitrobenzofuran-2-carboxylic acid ,98%
[Molecular Formula]

C9H5NO5
[MDL Number]

MFCD00060513
[Molecular Weight]

207.14
[MOL File]

10242-12-3.mol
Chemical PropertiesBack Directory
[Melting point ]

279-284 °C
[Boiling point ]

414.0±25.0 °C(Predicted)
[density ]

1.584±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

2.77±0.30(Predicted)
[color ]

White to Orange to Green
[Detection Methods]

HPLC,NMR,MS
[InChI]

1S/C9H5NO5/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)
[InChIKey]

LZKWLHXJPIKJSJ-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cc2cc(ccc2o1)[N+]([O-])=O
[CAS DataBase Reference]

10242-12-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29329990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Ethyl acetate-->Tetrahydrofuran-->Petroleum ether-->Bromine-->Diethyl malonate-->Potassium tert-butoxide-->5-Nitrosalicylaldehyde-->Ethyl-2-formyl phenoxy acetate-->Ethyl 5-nitrobenzofuran-2-carboxylate-->Diethyl bromomalonate
[Preparation Products]

(5-nitro-1-benzofuran-2-yl)methanol
Hazard InformationBack Directory
[Chemical Properties]

Light yellow powder
[Uses]

5-Nitro-benzofuran-2-carboxylic Acid is a reagent used in the synthesis of arylamidobenzofurans.
[Uses]

Reactant for:• ;Preparation of arylarylamidobenzofurans via Curtius rearrangement followed by bromination and Suzuki reaction1• ;Synthesis and antibacterial evaluation of nitazoxanide-based analogs2• ;Preparation of Melanin-Concentrating Hormone Receptor 1 antagonist3• ;Synthesis of benzoyl and cinnamoyl nitrogen mustard derivatives of benzoheterocyclic analogs of tallimustine as antitumor agents4
Spectrum DetailBack Directory
[Spectrum Detail]

5-NITROBENZOFURAN-2-CARBOXYLIC ACID(10242-12-3)1HNMR
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