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121-92-6

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Identification

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

Appearance
light yellow crystals
Melting point 
139-141 °C(lit.)

mp 
139-141 °C(lit.)

Boiling point 
295.67°C (rough estimate)
density 
1,494 g/cm3
vapor density 
5.76 (vs air)

refractive index 
1.6280 (estimate)
Fp 
190 °C
storage temp. 
no restrictions.
solubility 
water: soluble3g/L at 25°C
pka
3.47(at 25℃)
form 
Crystals or Powder
color 
Slightly green to light yellow
Stability:
Stable. Combustible. Incompatible with strong oxidizing agents.
PH Range
3
PH
3 (5g/l, H2O, 20℃)(aqueous suspension)
Water Solubility 
<0.01 g/100 mL at 18 ºC
Merck 
14,6589
BRN 
908644
InChIKey
AFPHTEQTJZKQAQ-UHFFFAOYSA-N
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)

Questions And Answer

Uses
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.

Safety Data

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
HS Code 
29163900
Hazardous Substances Data
121-92-6(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

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
Synthesis Reference(s)
Organic Syntheses, Coll. Vol. 1, p. 391, 1941
The Journal of Organic Chemistry, 46, p. 3056, 1981 DOI: 10.1021/jo00328a013
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.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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