ChemicalBook > CAS DataBase List > Methyl 4-chloro-3-nitrobenzoate

Methyl 4-chloro-3-nitrobenzoate

Product Name: Methyl 4-chloro-3-nitrobenzoate
CAS No.: 14719-83-6
Chemical Name: Methyl 4-chloro-3-nitrobenzoate
Synonyms: BUTTPARK 97\04-24;RARECHEM AL BF 0170;Methyl 4-chloro-3-ni;Intedanib Impurity 2;OTAVA-BB BB0128620049;Nintedanib impurities7;Methyl 4-chloro-3-nitrobenzate;METHYL 4-CHLORO-3-NITROBENZOATE;METHYL-3-NITRO-4-CHLOROBENZOATE;4-chloro-2-methyl-3-nitrobenzoate
CBNumber: CB7775770
Molecular Formula: C8H6ClNO4
Formula Weight: 215.59
MOL File: 14719-83-6.mol

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Methyl 4-chloro-3-nitrobenzoate Property

Melting point:: 80 °C
Boiling point:: 313.2±22.0 °C(Predicted)
Density: 1.5220
refractive index: 1.6000 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Light yellow to Green
Water Solubility: Soluble in water.
BRN: 1643729
InChI: InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
InChIKey: XRTKWPWDSUNLHS-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(Cl)C([N+]([O-])=O)=C1
CAS DataBase Reference: 14719-83-6(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-37/39-37
Hazard Note: Irritant
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.

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

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: S706744
Product name: METHYL 4-CHLORO-3-NITROBENZOATE
Purity: AldrichCPR
Packaging: 50MG
Price: $143
Updated: 2025/07/31

TCI Chemical

Product number: M1779
Product name: Methyl 4-Chloro-3-nitrobenzoate
Purity: >98.0%(GC)
Packaging: 5g
Price: $32
Updated: 2025/07/31

TCI Chemical

Product number: M1779
Product name: Methyl 4-Chloro-3-nitrobenzoate
Purity: >98.0%(GC)
Packaging: 25g
Price: $95
Updated: 2025/07/31

TRC

Product number: M295765
Product name: Methyl 4-Chloro-3-nitrobenzoate
Packaging: 1g
Price: $55
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4654-5-Y7
Product name: Methyl 4-chloro-3-nitrobenzoate
Purity: 98%
Packaging: 5G
Price: $24
Updated: 2021/12/16

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Methyl 4-chloro-3-nitrobenzoate Chemical Properties,Usage,Production

Uses

Methyl 4-chloro-3-nitrobenzoate, is used as starting material for the preparation of the methyl benzoates

Synthesis

67-56-1

96-99-1

14719-83-6

Procedure for the synthesis of methyl 4-chloro-3-nitrobenzoate (1): 4-chloro-3-nitrobenzoic acid (5.0 g, 24.8 mmol) was dissolved in 200 mL of methanol and 4.15 mL (29.8 mmol) of triethylamine was added. The reaction mixture was cooled in an ice-salt bath and 3.19 mL (44.7 mmol) of acetyl chloride was added slowly and dropwise. The reaction mixture was stirred under reflux conditions for 6 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was dissolved in 100 mL of water and then extracted twice with ethyl acetate (100 mL). The organic phases were combined, dried with anhydrous magnesium sulfate and concentrated under reduced pressure. The crude product was recrystallized with ether (10 mL) to give white crystals of methyl 4-chloro-3-nitrobenzoate (4.81 g, 92% yield). Thin Layer Chromatography (TLC) Rf = 0.55 (unfolding agent: ethyl acetate/cyclohexane = 7/3); melting point 79-80 °C. Infrared spectroscopy (IR) showed the carbonyl absorption peak located at 1716 cm-1; 1H NMR spectrum (300 MHz, DMSO-d6) δ 3.90 (single peak, 3H, OCH3), 7.90 (double peak, 1H, H5, J5-6 = 8.1 Hz), 8.15 (double-double peak, 1H, H6, J6-5 = 8.1 Hz, J5-2 = 1.5 Hz ), 8.49 (double peaks, 1H, H2, J2-6 = 1.5Hz). Molecular formula: C8H6ClNO4.

References

[1] Journal of Medicinal Chemistry, 2010, vol. 53, # 10, p. 3927 - 3936
[2] Heterocyclic Communications, 2001, vol. 7, # 5, p. 455 - 460
[3] Chemical Research in Toxicology, 1997, vol. 10, # 4, p. 439 - 449
[4] Synthetic Communications, 2002, vol. 32, # 11, p. 1703 - 1707
[5] Journal of Organic Chemistry, 2003, vol. 68, # 14, p. 5525 - 5533

Methyl 4-chloro-3-nitrobenzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from Methyl 4-chloro-3-nitrobenzoate manufacturers

Career Henan Chemical Co

Product: Methyl 4-chloro-3-nitrobenzoate 14719-83-6
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 200kg
Release date: 2020-01-09

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14719-83-6

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