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3-Methyl-2-nitrobenzoic acid

Product Name
3-Methyl-2-nitrobenzoic acid
CAS No.
5437-38-7
Chemical Name
3-Methyl-2-nitrobenzoic acid
Synonyms
2-NITRO-M-TOLUIC ACID;2-NITRO-3-METHYLBENZOIC ACID;BL-ME-0;3-Methyl-2-n;Fluralaner-028;RSYY(Apremilast)-19;3-Methyl-2-nitrobenz;-2-nitrobenzoic acid;Fluralaner Impurity 49;3-Methyl-2-nitrobenzoic
CBNumber
CB9223457
Molecular Formula
C8H7NO4
Formula Weight
181.15
MOL File
5437-38-7.mol
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3-Methyl-2-nitrobenzoic acid Property

Melting point:
220-223 °C (lit.)
Boiling point:
314.24°C (rough estimate)
Density 
1.4283 (rough estimate)
refractive index 
1.5468 (estimate)
storage temp. 
Sealed in dry,Room Temperature
form 
powder to crystal
pka
2.26±0.10(Predicted)
color 
White to Almost white
Water Solubility 
<0.1 g/100 mL at 22 ºC
BRN 
1960698
InChI
InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey
DGDAVTPQCQXLGU-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC=CC(C)=C1[N+]([O-])=O
CAS DataBase Reference
5437-38-7(CAS DataBase Reference)
EPA Substance Registry System
3-Methyl-2-nitrobenzoic acid (5437-38-7)
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-20/21/22
Safety Statements 
26-36-36/37/39-22-37
WGK Germany 
3
TSCA 
Yes
HS Code 
29163990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

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

P302+P352IF ON SKIN: wash with plenty of soap and water.

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

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
M60406
Product name
3-Methyl-2-nitrobenzoic acid
Purity
98%
Packaging
25g
Price
$30.5
Updated
2023/06/20
Sigma-Aldrich
Product number
M60406
Product name
3-Methyl-2-nitrobenzoic acid
Purity
98%
Packaging
100g
Price
$64
Updated
2023/06/20
TCI Chemical
Product number
M1370
Product name
3-Methyl-2-nitrobenzoic Acid
Purity
>98.0%(T)
Packaging
25g
Price
$63
Updated
2024/03/01
TCI Chemical
Product number
M1370
Product name
3-Methyl-2-nitrobenzoic Acid
Purity
>98.0%(T)
Packaging
250g
Price
$316
Updated
2024/03/01
Alfa Aesar
Product number
B25682
Product name
3-Methyl-2-nitrobenzoic acid, 98%
Packaging
25g
Price
$52.65
Updated
2024/03/01
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3-Methyl-2-nitrobenzoic acid Chemical Properties,Usage,Production

Chemical Properties

white to slightly yellow crystalline powder

Uses

2-Nitro-m-toluic Acid, is a building block used for the synthesis of various compounds. It can be used for the synthesis of novel Indolin-2-one derivatives as protein tyrosine phosphatase 1B inhibitors.

General Description

Prisms or white crystalline solid.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

3-Methyl-2-nitrobenzoic acid is a nitrated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry.

Fire Hazard

Information concerning the flash point of 3-Methyl-2-nitrobenzoic acid is not available. 3-Methyl-2-nitrobenzoic acid is probably combustible.

Purification Methods

Recrystallise it from EtOH. The methyl ester has m 74o (from MeOH), and the amide [60310-07-8] M 180.1, has m 192o (needles from H2O, prisms from EtOH). [Beilstein 9 H 480, 9 IV 1722.]

3-Methyl-2-nitrobenzoic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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3-Methyl-2-nitrobenzoic acid Suppliers

GLR Innovations
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+91 9891111994
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TCI Chemicals (India) Pvt. Ltd.
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View Lastest Price from 3-Methyl-2-nitrobenzoic acid manufacturers

Asia Chem I and E (Jiangsu) Co Ltd
Product
3-Methyl-2-nitrobenzoic acid 5437-38-7
Price
US $20.93/Kg/Drum
Min. Order
25Kg/Drum
Purity
99.50%HPLC
Supply Ability
60tons/month
Release date
2021-09-24
WUHAN FORTUNA CHEMICAL CO., LTD
Product
3-Methyl-2-nitrobenzoic acid 5437-38-7
Price
US $0.00/Kg/Drum
Min. Order
1KG
Purity
98%min
Supply Ability
500kg
Release date
2021-09-30
Yancheng Green Chemicals Co.,Ltd
Product
3-Methyl-2-nitrobenzoic acid 5437-38-7
Price
US $0.00/Kg/Bag
Min. Order
25KG
Purity
98%
Supply Ability
200tons
Release date
2020-07-20

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