3-nitrobenzaldehyde

3-Nitrobenzaldehyde

Names
Preferred IUPAC name 3-Nitrobenzaldehyde
Other names m-Nitrobenzaldehyde
Properties
Chemical formula	C7H5NO3
Molar mass	151.12 g·mol−1
Appearance	Yellowish to brownish crystalline powder or granulate
Melting point	58.5 °C (137.3 °F; 331.6 K)
Boiling point	164 °C (327 °F; 437 K) at 23 mmHg
Solubility in water	16.3 mg/mL
Magnetic susceptibility (χ)	-68.55·10−6 cm3/mol
Identifiers
CAS Number	99-61-6 Y
3D model (JSmol)	Interactive image
ChemSpider	7169 Y
ECHA InfoCard	100.002.520
PubChem CID	7449
InChI InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H Y Key: ZETIVVHRRQLWFW-UHFFFAOYSA-N Y InChI=1/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H Key: ZETIVVHRRQLWFW-UHFFFAOYAC
SMILES O=[N+]([O-])c1cc(C=O)ccc1
Hazards
Main hazards	Harmful,Potentially mutagenic
R-phrases (outdated)	R20 R21 R22
S-phrases (outdated)	S26 S28
NFPA 704	1 2 0
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N  (what is YN ?)
Infobox references

3-Nitrobenzaldehyde, meta-nitrobenzaldehyde or m-nitrobenzaldehyde is an organic aromatic compound containing a nitro group meta-substituted to an aldehyde. 3-Nitrobenzaldehyde is the primary product obtained via the mono-nitration of benzaldehyde with nitric acid.

The synthesis of 3-nitrobenzaldehyde is accomplished via nitration of benzaldehyde, which yields mostly the meta-isomer. Product distribution is about 19% for the ortho-, 72% for the meta- and 9% for the para isomers.

A known use of 3-Nitrobenzaldehyde is in the synthesis of Tipranavir.