2,5-diMethyl-4-nitrobenzoic acid, a derivative of benzoic acid, is a chemical compound characterized by its molecular formula C9H9NO4. It is a yellow crystalline solid known for its presence in the pharmaceutical and analytical industries. 2,5-diMethyl-4-nitrobenzoicacid features two methyl groups and a nitro group attached to the benzene ring, contributing to its unique chemical properties and potential applications.

6954-70-7

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Basic information
1. Product Name: 2,5-diMethyl-4-nitrobenzoicacid
2. Synonyms: 2,5-diMethyl-4-nitrobenzoicacid
3. CAS NO:6954-70-7
4. Molecular Formula: C9H9NO4
5. Molecular Weight: 195.17206
6. EINECS: N/A
7. Product Categories: N/A
8. Mol File: 6954-70-7.mol
Chemical Properties
1. Melting Point: 166.5 °C
2. Boiling Point: 367.2°Cat760mmHg
3. Flash Point: 163°C
4. Appearance: /
5. Density: 1.333g/cm³
6. Vapor Pressure: 4.88E-06mmHg at 25°C
7. Refractive Index: 1.589
8. Storage Temp.: Sealed in dry,Room Temperature
9. Solubility: N/A
10. PKA: 3.02±0.13(Predicted)
11. CAS DataBase Reference: 2,5-diMethyl-4-nitrobenzoicacid(CAS DataBase Reference)
12. NIST Chemistry Reference: 2,5-diMethyl-4-nitrobenzoicacid(6954-70-7)
13. EPA Substance Registry System: 2,5-diMethyl-4-nitrobenzoicacid(6954-70-7)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 6954-70-7(Hazardous Substances Data)

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6954-70-7 Usage

Uses

Used in Pharmaceutical Industry:
2,5-diMethyl-4-nitrobenzoic acid is utilized as a reagent for the synthesis of various organic compounds, playing a crucial role in the development of pharmaceutical products. Its unique structure allows it to be a key component in the creation of new drugs and medicinal compounds.
Used in Analytical Techniques:
In the field of analytical chemistry, 2,5-diMethyl-4-nitrobenzoic acid serves as a standard for techniques such as high-performance liquid chromatography (HPLC). Its distinct properties make it an ideal reference material for calibrating and validating analytical methods, ensuring accurate and reliable results.
Used in Research and Development:
2,5-diMethyl-4-nitrobenzoic acid also exhibits potential biological activities, making it a subject of interest for researchers studying its applications in medicine. Its exploration in research and development could lead to the discovery of new therapeutic agents and advancements in the medical field.

Check Digit Verification of cas no

The CAS Registry Mumber 6954-70-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,5 and 4 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6954-70:
(6*6)+(5*9)+(4*5)+(3*4)+(2*7)+(1*0)=127
127 % 10 = 7
So 6954-70-7 is a valid CAS Registry Number.

InChI:InChI=1/C9H9NO4/c1-5-4-8(10(13)14)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)

6954-70-7Synthetic route

: 73713-69-6
2,5-Dimethyl-4-nitrobenzonitrile

: 6954-70-7
2,5-dimethyl-4-nitro-benzoic acid

Conditions

Conditions	Yield
With sulfuric acid

: 3460-29-5
4-nitro-2,5-xylidine

: 6954-70-7
2,5-dimethyl-4-nitro-benzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous potassium tetracyanocuprate (I)-solution / Erwaermen des Reaktionsgemisches 2: aqueous sulfuric acid View Scheme