77158-86-2

Basic information

• Product Name: 3-CHLORO-2-NITROBENZYL ALCOHOL 97
• Synonyms: 3-CHLORO-2-NITROBENZYL ALCOHOL 97;(3-chloro-2-nitrophenyl)Methanol;3-Chloro-2-nitrobenzyl alcohol 97%;2-Nitro-3-chlorobenzyl alcohol
• CAS NO: 77158-86-2
• Molecular Formula: C₇H₆ClNO₃
• Molecular Weight: 187.581
• Product Categories: Alcohols;C7 to C8;Oxygen Compounds
• Mol File: 77158-86-2.mol
• Article Data: 2

Chemical Properties

• Melting Point: 65-69 °C(lit.)
• Boiling Point: 319.393 °C at 760 mmHg
• Flash Point: 146.964 °C
• Appearance: /
• Density: 1.477 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.612
• Storage Temp.: 2-8°C
• PKA: 13.50±0.10(Predicted)
• CAS DataBase Reference: 3-CHLORO-2-NITROBENZYL ALCOHOL 97(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-2-NITROBENZYL ALCOHOL 97(77158-86-2)
• EPA Substance Registry System: 3-CHLORO-2-NITROBENZYL ALCOHOL 97(77158-86-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37-36
• WGK Germany: 3
• Hazardous Substances Data: 77158-86-2(Hazardous Substances Data)

Usage

General Description

3-Chloro-2-nitrobenzyl alcohol 97 is a chemical compound with the molecular formula C7H6ClNO3. It is a pale yellow crystalline powder that is used primarily as a building block in the synthesis of various pharmaceuticals and agrochemicals. The compound is known for its strong aromatic odor and is typically handled with care due to its potential reactivity and toxicity. It is commonly used as an intermediate in the production of dyes, pigments, and other organic compounds. The compound is also used in the production of certain types of resins and polymers. Overall, 3-Chloro-2-nitrobenzyl alcohol 97 is a versatile compound with a wide range of industrial applications.

InChI:InChI=1/C7H6ClNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-3,10H,4H2

Upstream product

• 4771-47-5 3-chloro-2-nitro-benzoic acid 
• 19088-99-4 3-chloro-2-nitrobenzoyl chloride 

Downstream Products

• 124421-13-2 tert-Butyl-(3-chloro-2-nitro-benzyloxy)-dimethyl-silane 
• 149155-79-3 3-(dimethylamino)-2-nitrobenzyl alcohol 
• 22233-52-9 3-chloro-2-nitrobenzaldehyde 
• 714229-96-6 2-(3-chloro-2-nitro-phenyl)-thiochromen-4-one 
• 714229-86-4 2-(3-chloro-2-nitro-phenyl)-3-methanesulfinyl-thiochroman-4-one 
• 714229-78-4 1-[2-(p-methoxybenzylthio)phenyl]-2-(methylsulfinyl)-3-(3-chloro-2-nitrophenyl)-2-propen-1-one 
• 149155-80-6 3-(dimethylamino)-2-nitrobenzyl bromide 
• 149155-81-7 3-<4-(5-methyl-4-phenyl-1H-imidazol-1-yl)-1-butenyl>-2-nitro-N,N-dimethylaniline 
• 124421-14-3 2-(tert-Butyl-dimethyl-silanyloxymethyl)-6-chloro-phenylamine 
• 1381869-36-8 7-chloro-2-(2,4-difluorophenyl)-2H-indazole 
• 1381869-37-9 7-chloro-2-(2,4-difluorophenyl)-3-methyl-2H-indazole 

Relevant articles and documents

Synthesis and structure-activity relationships of thioflavone derivatives as specific inhibitors of the ERK-MAP kinase signaling pathway

Condensation of nitrobenzaldehydes 3 and α-[o-(p-methoxybenzylthio) benzoyl] sulfoxide 4 gave α-sulfinyl enones 5. Treatment of 5 with formic acid caused cyclization followed by debenzylation to afford 3-(methylsulfinyl) thioflavanones 6. Double-bond formation with elimination of methanesulfenic acid was performed by refluxing 6 in benzene, and, finally, the nitro group of 2-phenyl-4H-1-benzothiopyran-4-one (thioflavones) 7 was reduced with tin in tetrafluoroboric acid. Various 2′-aminothioflavones 8 thus prepared were evaluated for their inhibitory effects on the ERK-MAP kinase pathway. In a cell-based assay, 2-(2′-amino-3 ′-methoxyphenyl)-4H-1-benzothiopyran-4-one (8b) showed a more potent inhibitory effect than the corresponding oxygen compound (PD98059, 1) on the Raf-induced activation of the ERK-MAP kinase pathway as well as cell proliferation. Furthermore, compound 8b selectively and potently inhibited the proliferation of tumor cells in which the ERK-MAP kinase pathway is constitutively activated.