| Identification | More | [Name]
3-Nitrobenzoic acid | [CAS]
121-92-6 | [Synonyms]
1-CARBOXY-3-NITROBENZENE
3-NITROBENZOIC ACID
3-NITRODRACYLIC ACID
3-NITROPHENYL METHANOIC ACID
LABOTEST-BB LT00795102
M-NITROBENZOIC ACID
NITROBENZOIC(3-) ACID
RARECHEM AL BO 0229
3-nitrobenzoic
3-nitro-benzoicaci
Benzoic acid, m-nitro-
Benzoicacid,3-nitro-
m-carboxynitrobenzene
Metanitrobenzoic acid
metanitrobenzoicacid
meta-nitrobenzoicacid
m-Nitrobenzenecarboxylic acid
m-nitrobenzenecarboxylicacid
m-nitro-benzoicaci
3-Nitrobenzoic acid/m-Nitrobenzoic acid | [EINECS(EC#)]
204-508-5 | [Molecular Formula]
C7H5NO4 | [MDL Number]
MFCD00007251 | [Molecular Weight]
167.12 | [MOL File]
121-92-6.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow crystals | [Melting point ]
139-141 °C(lit.)
| [Boiling point ]
295.67°C (rough estimate) | [bulk density]
700kg/m3 | [density ]
1,494 g/cm3 | [vapor density ]
5.76 (vs air)
| [vapor pressure ]
0.005Pa at 25℃ | [refractive index ]
1.6280 (estimate) | [Fp ]
190 °C | [storage temp. ]
no restrictions. | [solubility ]
water: soluble3g/L at 25°C | [form ]
Crystals or Powder | [pka]
3.47(at 25℃) | [color ]
Slightly green to light yellow | [PH]
3 (5g/l, H2O, 20℃)(aqueous suspension) | [PH Range]
3 | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents. | [Water Solubility ]
<0.01 g/100 mL at 18 ºC | [Merck ]
14,6589 | [BRN ]
908644 | [Henry's Law Constant]
3.4×103 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) | [InChI]
1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10) | [InChIKey]
AFPHTEQTJZKQAQ-UHFFFAOYSA-N | [SMILES]
OC(=O)c1cccc(c1)[N+]([O-])=O | [LogP]
1.1 at 25℃ | [CAS DataBase Reference]
121-92-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 3-nitro-(121-92-6) | [EPA Substance Registry System]
121-92-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H319 | [Precautionary statements ]
P264-P280-P305+P351+P338-P337+P313 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37:Irritating to eyes and respiratory system .
R33:Danger of cumulative effects. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [RTECS ]
DH5000000
| [Autoignition Temperature]
490 °C | [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2 | [Hazardous Substances Data]
121-92-6(Hazardous Substances Data) |
| Hazard Information | Back Directory | [General Description]
Off white to yellowish-white crystals. Bitter taste. Melts in hot water. | [Reactivity Profile]
M-NITROBENZOIC ACID(121-92-6) is incompatible with strong oxidizers. M-NITROBENZOIC ACID(121-92-6) is also incompatible with strong bases. M-NITROBENZOIC ACID(121-92-6) may react with cyanides. | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
Flash point data for this compound are not available but M-NITROBENZOIC ACID is probably combustible. | [Chemical Properties]
light yellow crystals | [Uses]
3-Nitrobenzoic acid was used to investigated the role of ozone as additional decomposition or finishing reagent in the degradation of o-, m- and p-nitobenzoic acids | [Application]
3-Nitrobenzoic acid is an intermediate of photosensitive materials, functional pigments and drugs. In the pharmaceutical industry, it is used to produce bile acid, acetic acid and so on.
m-nitrobenzoic acid is a reagent used in the coupling of allyl acetate to allylic, aliphatic and benzylic alcohols. It is also used as a chemoattractant against Pseudomonas strains. | [Preparation]
3-Nitrobenzoic acid is prepared by nitrating benzoic acid at low temperature. Approximately 20% of the 2-nitro isomer and 1.5% of the 4-nitro isomer are co-produced. The 3-nitrobenzoic acid can be purified by recrystallization of the sodium salt. The oxidation of 3-nitrobenzaldehyde, prepared by the controlled oxidation of benzaldehyde, gives a higher yield. | [Synthesis Reference(s)]
Organic Syntheses, Coll. Vol. 1, p. 391, 1941
The Journal of Organic Chemistry, 46, p. 3056, 1981 DOI: 10.1021/jo00328a013 | [Flammability and Explosibility]
Nonflammable | [Purification Methods]
Crystallise the acid from *benzene, H2O, EtOH (charcoal), glacial acetic acid or MeOH/H2O. Dry and store it in a vacuum desiccator. The amide has m 143o (from H2O or *C6H6). [Beilstein 9 III 1489, 9 IV 1055.] |
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J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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