2-Chloro-5-nitrobenzoic Acid , 99% , 2516-96-3

Synonym(s):
2-Chloro-5-nitrobenzoic acid

CAS NO.：2516-96-3

Empirical Formula: C7H4ClNO4

Molecular Weight: 201.56

MDL number: MFCD00007294

EINECS: 219-739-7

PRODUCT Properties

• Melting point: 165-168 °C (lit.)
• Boiling point: 356.5±27.0 °C(Predicted)
• Density: 1.6
• refractive index: 1.6000 (estimate)
• Flash point: >100°C
• storage temp.: Sealed in dry,Room Temperature
• solubility: 3.6g/l
• pka: pK1: 2.17 (25°C)
• form: Crystalline Powder
• color: Light yellow to beige-brown
• BRN: 1877474
• InChI: 1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
• InChIKey: QUEKGYQTRJVEQC-UHFFFAOYSA-N
• SMILES: OC(=O)c1cc(ccc1Cl)[N+]([O-])=O
• CAS DataBase Reference: 2516-96-3(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-5-nitrobenzoic acid(2516-96-3)
• EPA Substance Registry System: Benzoic acid, 2-chloro-5-nitro- (2516-96-3)

Description and Uses

2-Chloro-5-nitrobenzoic Acid is used in the synthesis of sesquiterpenoids as potential antibacterial compounds. Also used in the synthesis of substituted phenyl oxazoles as novel LSD1 inhibitors with antiproliferative activity. In addition it’s used to synthesize cathespin L inhibitors.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H317-H319
• Precautionary statements: P261-P264-P272-P280-P302+P352-P305+P351+P338
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xn,N,Xi
• Risk Statements: 22-37/38-41-50-36/37/38
• Safety Statements: 26-39-61-24/25-36
• RIDADR: UN3077 9/PG 3
• WGK Germany: 1
• TSCA: TSCA listed
• HS Code: 29163900
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Irrit. 2; Skin Sens. 1