CAS 16588-16-2

Benzoic acid, 4-chloro-3-nitro-, ethyl ester

Description:

Benzoic acid, 4-chloro-3-nitro-, ethyl ester, identified by the CAS number 16588-16-2, is an organic compound that belongs to the class of benzoic acid esters. This compound features a benzoic acid moiety substituted with a chloro group at the para position and a nitro group at the meta position relative to the ester functional group. It is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. The presence of the chloro and nitro substituents contributes to its chemical reactivity and potential applications in organic synthesis. Benzoic acid derivatives are often utilized in the production of various pharmaceuticals, agrochemicals, and as intermediates in chemical reactions. The compound may exhibit moderate solubility in organic solvents and limited solubility in water, which is characteristic of many aromatic esters. Safety data should be consulted for handling, as the presence of halogen and nitro groups may impart toxicity or environmental hazards.

Formula: C₉H₈ClNO₄

InChI: InChI=1S/C9H8ClNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3

InChI key: InChIKey=BLNLZRQIUGDTAO-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC(C(OCC)=O)=CC=C1Cl

Synonyms:

• 4-Chloro-3-Nitrobenzoic Acid Ethyl Ester
• Benzoic acid, 4-chloro-3-nitro-, ethyl ester
• Rarechem Al Bi 0170
• Ethyl 4-chloro-3-nitrobenzoate
• -ETHYL 4-CHLORO-3-NITROBENZOATE

Benzoic acid, 4-chloro-3-nitro-, ethyl ester

CAS: 16588-16-2

Formula: C₉H₈ClNO₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 229.6171

Ref: IN-DA001WDV

ethyl 4-chloro-3-nitrobenzoate

CAS: 16588-16-2

ethyl 4-chloro-3-nitrobenzoate

Purity: ≥95%

Color and Shape: Solid

Molecular weight: 229.62g/mol

Ref: 54-OR24990

4-Chloro-3-nitrobenzoic acid ethyl ester

CAS: 16588-16-2

4-Chloro-3-nitrobenzoic acid ethyl ester is a six-membered, planar, hydrogen bond that has a crystal structure with a six-membered ring. It has hydrogen bonds and five-membered ring. The molecule is coplanar and oriented.

Formula: C₉H₈ClNO₄

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 229.62 g/mol

Ref: 3D-FC71000

Ethyl 4-chloro-3-nitrobenzoate

CAS: 16588-16-2

Formula: C₉H₈ClNO₄

Purity: 95.0%

Color and Shape: Solid

Molecular weight: 229.62

Ref: 10-F224031