Methyl 3-formyl-2-nitrobenzoate , 95% , 138229-59-1

CAS NO.：138229-59-1

Empirical Formula: C9H7NO5

Molecular Weight: 209.16

MDL number: MFCD14706049

EINECS: 815-022-3

PRODUCT Properties

• Boiling point: 354℃
• Density: 1.386
• Flash point: 173℃
• storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
• form: lumpy powder
• color: White
• InChI: InChI=1S/C9H7NO5/c1-15-9(12)7-4-2-3-6(5-11)8(7)10(13)14/h2-5H,1H3
• InChIKey: NSLOBVGASZUPDO-UHFFFAOYSA-N
• SMILES: C(OC)(=O)C1=CC=CC(C=O)=C1[N+]([O-])=O
• CAS DataBase Reference: 138229-59-1

Description and Uses

Methyl 3-formyl-2-nitrobenzoate is a phase transfer catalyst used to synthesize chlorinated hydrocarbons from inorganic chloride. It is soluble in organic solvents and can synthesize hydrochloric acid, sodium chloride, and zinc chloride. Methyl 3-formyl-2-nitrobenzoate is also used as a catalyst for producing polychlorinated biphenyls. It is hydrolyzed by water to release methyl 3-hydroxy-2-nitrobenzoate.

Methyl 3-?Formyl-?2-?nitrobenzoate is a reagent used in the synthesis of PARP inhibitors. Intermediate of Niraparib (N481400), a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor efficacious in BRCA-1 and -2 mutant tumors.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335-H412
• Precautionary statements: P280-P301+P312-P261
• HS Code: 2918300090