1080-04-2

Basic information

• Product Name: 1-nitro-4-sulfooxy-benzene
• Synonyms: 1-nitro-4-sulfooxy-benzene;4-nitrophenyl hydrogen sulfate
• CAS NO: 1080-04-2
• Molecular Formula: C₆H₅NO₆S
• Molecular Weight: 257.2624
• EINECS: 228-288-5
• Mol File: 1080-04-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 1.74E-11mmHg at 25°C
• Refractive Index: 1.641
• CAS DataBase Reference: 1-nitro-4-sulfooxy-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-nitro-4-sulfooxy-benzene(1080-04-2)
• EPA Substance Registry System: 1-nitro-4-sulfooxy-benzene(1080-04-2)

Safety Data

• Hazardous Substances Data: 1080-04-2(Hazardous Substances Data)

Usage

Type of compound

nitroaromatic

Functional groups

nitro group, sulfooxy group

Attachment

attached to a benzene ring

Uses

industrial applications (precursor for synthesis of organic compounds, starting material for production of dyes and pigments)

Physical form

yellow crystalline solid

Solubility

soluble in water

Odor

characteristic

Toxicity

toxic if ingested, causes irritation to respiratory tract and skin

Safety precautions

handle with care and follow proper safety measures

InChI:InChI=1/C12H8N2O8S/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H

Upstream product

• 100-02-7 4-nitro-phenol 
• 26412-87-3 sulfur trioxide pyridine complex 
• 330-13-2 mono-p-nitrophenyl phosphate 
• 63147-26-2 trimethyl-sulfo-ammonium betaine 

Downstream Products

• 100-02-7 4-nitro-phenol 
• 330-13-2 mono-p-nitrophenyl phosphate 
• 6217-68-1 potassium 4-nitrophenylsulfate monoester 
• 4999-79-5 (17β)-3-(sulfooxy)estra-1,3,5(10)-trien-17-ol sodium salt 
• 80632-52-6 sulfated [Leu⁵]-enkephalin 
• 824-78-2 4-nitrophenol sodium salt 

Relevant articles and documents

METHOD FOR PRODUCING P-NITROPHENYL SULFATE

PROBLEM TO BE SOLVED: To provide a method for producing a p-nitrophenyl sulfate (PNPS salt) such as potassium p-nitrophenyl sulfate (PNPS-K). SOLUTION: A p-nitrophenyl sulfate is produced by reacting p-nitrophenol (PNP) with sulfur trioxide complex in a medium having a low capacity of dissolving p-nitrophenyl sulfate such as tetrahydrofuran, and neutralizing the reaction product with tert-butoxy salt. SELECTED DRAWING: None COPYRIGHT: (C)2017,JPOandINPIT

Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer

Structure/reactivity and structure/structure correlations of 5 sulfate monoesters and 11 sulfamate esters determined by low temperature X-ray crystallography reveal similar ground state deformations that suggest similar reaction coordinates for sulfuryl and sulfamyl group transfer. The Royal Society of Chemistry 2006.