ChemicalBook > CAS DataBase List > 3-Nitrobenzoic acid

3-Nitrobenzoic acid

Product Name
3-Nitrobenzoic acid
CAS No.
121-92-6
Chemical Name
3-Nitrobenzoic acid
Synonyms
M-NITROBENZOIC ACID;3-nitrobenzoic;NITROBENZOIC(3-) ACID;Metanitrobenzoic acid;3-NITROPHENYL METHANOIC ACID;N-204;Nitrobenzene acid;Arylex Impurity 6;3-nitro-benzoicaci;m-nitro-benzoicaci
CBNumber
CB1709821
Molecular Formula
C7H5NO4
Formula Weight
167.12
MOL File
121-92-6.mol
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3-Nitrobenzoic acid Property

Melting point:
139-141 °C(lit.)
Boiling point:
295.67°C (rough estimate)
Density 
1,494 g/cm3
vapor density 
5.76 (vs air)
vapor pressure 
0.005Pa at 25℃
refractive index 
1.6280 (estimate)
Flash point:
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
Water Solubility 
<0.01 g/100 mL at 18 ºC
Merck 
14,6588
BRN 
908644
Stability:
Stable. Combustible. Incompatible with strong oxidizing agents.
InChIKey
AFPHTEQTJZKQAQ-UHFFFAOYSA-N
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
m-Nitrobenzoic acid (121-92-6)
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Safety

Hazard Codes 
Xn,Xi
Risk Statements 
22-36/37-33-36/37/38
Safety Statements 
26-24/25
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)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
185329
Product name
3-Nitrobenzoic acid
Purity
ReagentPlus , 99%
Packaging
5g
Price
$38.5
Updated
2024/03/01
Sigma-Aldrich
Product number
8.00645
Product name
3-Nitrobenzoic acid
Purity
for synthesis
Packaging
250g
Price
$33.1
Updated
2024/03/01
Sigma-Aldrich
Product number
185329
Product name
3-Nitrobenzoic acid
Purity
ReagentPlus , 99%
Packaging
100g
Price
$46.4
Updated
2024/03/01
TCI Chemical
Product number
N0154
Product name
3-Nitrobenzoic Acid
Purity
>99.0%(GC)(T)
Packaging
25g
Price
$18
Updated
2024/03/01
TCI Chemical
Product number
N0154
Product name
3-Nitrobenzoic Acid
Purity
>99.0%(GC)(T)
Packaging
500g
Price
$66
Updated
2024/03/01
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3-Nitrobenzoic acid Chemical Properties,Usage,Production

Chemical Properties

White or light yellow monoclinic leaf-like crystal. Soluble in acetone, chloroform, ethanol and ether, slightly soluble in benzene, water, carbon disulfide and petroleum ether, more soluble in hot water. It smells like almonds. 3-nitrobenzoic acid is quite a strong acid, it is soluble in a relatively weak base. It is about ten times more acidic than benzoic acid.The conjugate base of benzoic acid is stabilised by the presence of the electron withdrawing nitro group which explains its increased acidity in comparison to unsubstituted benzoic acid.

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

General Description

Off white to yellowish-white crystals. Bitter taste. Melts in hot water.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

3-Nitrobenzoic acid is incompatible with strong oxidizers. 3-Nitrobenzoic acid is also incompatible with strong bases. 3-Nitrobenzoic acid may react with cyanides.

Fire Hazard

Flash point data for 3-Nitrobenzoic acid are not available but 3-Nitrobenzoic acid is probably combustible.

Flammability and Explosibility

Non flammable

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.]

3-Nitrobenzoic acid Preparation Products And Raw materials

Raw materials

3-Nitrotoluene Methyl benzoate Benzoic acid

Preparation Products

3-(Dimethylamino)benzoic acid 2,5-BIS(3-NITROPHENYL)-1,3,4-OXADIAZOLE m-Nitrobenzoyl chloride 3-Aminobenzoic acid
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View Lastest Price from 3-Nitrobenzoic acid manufacturers

Asia Chem I and E (Jiangsu) Co Ltd
Product
3-Nitrobenzoic acid 121-92-6
Price
US $15.35/Kg/Drum
Min. Order
25Kg/Drum
Purity
99.50%HPLC
Supply Ability
10tons/month
Release date
2021-09-16
Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
3-Nitrobenzoic Acid 121-92-6
Price
US $120.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-06-07
Hebei Weibang Biotechnology Co., Ltd
Product
3-Nitrobenzoic acid 121-92-6
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-27

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