structure of 39608-47-4

3-Chloro-4-Nitrobenzoic Acid(CAS 39608-47-4)

CAS No.: 39608-47-4 Brand: MolBest
M. Ft.: C7H4ClNO4 Cat. No: G6486332
M. Wt.: 201.56 MDL: MFCD01632172
Storage: Store in a cool,dry area. Use: For laboratory research use only
HS CODE: 2916399090
Purity Grade Package Stock Price Quantity
99%
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RG 1G In Stock 5 USD
99%
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RG 5G In Stock 19 USD
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RG 25G In Stock 46 USD
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RG 100G In Stock 161 USD
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RG 500G In Stock 1227 USD
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Applications of 39608-47-4

Industry Application Process
Pesticide Manufacturing Key intermediate for synthesizing the high-efficiency herbicide fluroxypyr Conversion of 3-chloro-4-nitrobenzoic acid into the pyridinecarboxylic acid derivative of fluroxypyr via multi-step reactions including esterification, amidation, and cyclization
Pharmaceutical Manufacturing Structural modification intermediate for synthesizing gemcitabine derivatives and certain nonsteroidal anti-inflammatory drugs (NSAIDs) Reduction of the nitro group to an amino group followed by diazotization and coupling with heterocycles; or direct participation in acid chloride formation and subsequent amide bond formation via aminolysis
Dyes and Pigments Precursor for light- and heat-stable coupling components in azo and reactive dyes Nitro group activation of ortho/para positions on the benzene ring, followed by reduction, diazotization, and coupling with naphthols or aromatic amines; chlorine substitution enhances color fastness
Organic Synthesis Multifunctional aromatic building block for preparing fine chemicals containing chloro, nitro, and carboxy functional groups Typical processes include: 1) conversion of the carboxy group to an acid chloride followed by Friedel-Crafts acylation; 2) selective reduction of the nitro group to an amino group followed by Sandmeyer reaction to introduce halogen; 3) decarboxylative coupling under basic conditions (e.g., modified Kolbe-Schmitt reaction)

Physical and chemical properties of 39608-47-4

Acidity coefficient

3.05±0.10(Predicted)

Boiling Point

382.7±27.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

200.982880

Flash Point

185.2±23.7 °C

Index of Refraction

1.628

LogP

2.69

Melting Point

178-180ºC

Molecular Formula

C7H4ClNO4

Molecular Weight

201.564

PSA

83.12000

Storage condition

Keep Cold

Vapour Pressure

0.0±0.9 mmHg at 25°C

Spectrums of 39608-47-4

Attention:
1.The NMR spectrum displayed on the page is a pre-sale reference spectrum and may differ from that of the actual received batch.
2.The accompanying documentation will include the NMR spectrum and purity analysis data for the shipped batch.
Physical sample testing spectrum (NMR) of 39608-47-4

Retrosynthesis analysis of 39608-47-4


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Download SDS of 39608-47-4

Pictograms

Signal Word

Warning

Hazard Statements

H302 Harmful if swallowed
H315 Causes skin irritation
H317 May cause an allergic skin reaction
H319 Causes serious eye irritation
H332 Harmful if inhaled
H335 May cause respiratory irritation

Safety Data Sheet

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