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
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)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-37/39-37
- Hazard Note
- Irritant
- HS Code
- 29163990
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.
N-Bromosuccinimide Price
- Product number
- S706744
- Product name
- METHYL 4-CHLORO-3-NITROBENZOATE
- Purity
- AldrichCPR
- Packaging
- 50MG
- Price
- $143
- Updated
- 2025/07/31
- Product number
- M1779
- Product name
- Methyl 4-Chloro-3-nitrobenzoate
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $32
- Updated
- 2025/07/31
- Product number
- M1779
- Product name
- Methyl 4-Chloro-3-nitrobenzoate
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $95
- Updated
- 2025/07/31
- Product number
- M295765
- Product name
- Methyl 4-Chloro-3-nitrobenzoate
- Packaging
- 1g
- Price
- $55
- Updated
- 2021/12/16
- Product number
- 4654-5-Y7
- Product name
- Methyl 4-chloro-3-nitrobenzoate
- Purity
- 98%
- Packaging
- 5G
- Price
- $24
- Updated
- 2021/12/16
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
- 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